CAS No.247584-10-7,4-AMINO-1-METHYL-3-PROPYLPYRAZOLE-5-CARBOXAMIDE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	247584-10-7
Name:	4-AMINO-1-METHYL-3-PROPYLPYRAZOLE-5-CARBOXAMIDE HYDROCHLORIDE
Article Data:	2

Formula:	C₈H₁₅ClN₄O
Molecular Weight:	218.686
Synonyms:	1H-Pyrazole-5-carboxamide,4-amino-1-methyl-3-propyl-, monohydrochloride (9CI);
EINECS:	607-432-4
Density:	1.394 g/cm³
Boiling Point:	325.9 °C at 760 mmHg
Flash Point:	150.9 °C
PSA:	71.77000
LogP:	0.20890

Synthetic route

: 139756-01-7
1-methyl-4-nitro-3-propyl-1H-pyrazole-5 carboxamide

: sodium metabisulfite

nickel-Raney catalyst: nickel-Raney catalyst

: 67-63-0
isopropyl alcohol

: 247584-10-7
4-amino-1-methyl-3-n-propylpyrazole-5-carboxamide hydrochloride

Conditions

Conditions	Yield
With hydrazine hydrate In water

...Expand

: 247584-10-7
4-amino-1-methyl-3-n-propylpyrazole-5-carboxamide hydrochloride

: 197370-13-1
2-bromo-3-thiophene carboxylic acid chloride

: 1072849-26-3
C13H15BrN4O2S

Conditions

Conditions	Yield
With triethylamine In pyridine; dichloromethane for 2h; Heating;

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Specification

The 1H-Pyrazole-5-carboxamide,4-amino-1-methyl-3-propyl-, hydrochloride (1:1), with the CAS registry number 247584-10-7, is also known as 4-Amino-1-Methyl-3-n-Propyl-1H-Pyrazole-5-Carboxamide HCl. This chemical's molecular formula is C₈H₁₅ClN₄O and molecular weight is 218.6839. Its systematic name is called 4-amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide hydrochloride (1:1).

Physical properties of 1H-Pyrazole-5-carboxamide,4-amino-1-methyl-3-propyl-, hydrochloride (1:1): (1)ACD/LogP: -0.08; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 22; (5)ACD/KOC (pH 7.4): 22; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Flash Point: 150.9 °C; (10)Enthalpy of Vaporization: 56.81 kJ/mol; (11)Boiling Point: 325.9 °C at 760 mmHg; (12)Vapour Pressure: 0.000223 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(N)c(nn1C)CCC)N.Cl
(2)InChI: InChI=1/C8H14N4O.ClH/c1-3-4-5-6(9)7(8(10)13)12(2)11-5;/h3-4,9H2,1-2H3,(H2,10,13);1H
(3)InChIKey: TWAOVUDRQJPVDF-UHFFFAOYAI