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5-Amino-3-cyclopentyl-1-methyl-1H-pyrazole-4-carbonitrile

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Name

5-Amino-3-cyclopentyl-1-methyl-1H-pyrazole-4-carbonitrile

EINECS N/A
CAS No. 1017689-87-0 Density 1.31 g/cm3
PSA 67.63000 LogP 2.11278
Solubility N/A Melting Point N/A
Formula C10H14N4 Boiling Point 387.1 °C at 760 mmHg
Molecular Weight 190.25 Flash Point 187.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1017689-87-0 (5-Amino-3-cyclopentyl-1-methyl-1H-pyrazole-4-carbonitrile) Hazard Symbols N/A
Synonyms

5-AMINO-3-CYCLOPENTYL-1-METHYL-1H-PYRAZOLE-4-CARBONITRILE;

 

5-Amino-3-cyclopentyl-1-methyl-1H-pyrazole-4-carbonitrile Specification

The CAS number of 5-Amino-3-cyclopentyl-1-methyl-1H-pyrazole-4-carbonitrile is 1017689-87-0. Its molecular formula is C10H14N4. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5-Amino-3-cyclopentyl-1-methyl-1H-pyrazole-4-carbonitrile are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.85; (6)ACD/BCF (pH 7.4): 43.85; (7)ACD/KOC (pH 5.5): 521.15; (8)ACD/KOC (pH 7.4): 521.16; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.63 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 54.18 cm3; (15)Molar Volume: 144.7 cm3; (16)Polarizability: 21.48×10-24cm3; (17)Surface Tension: 53.5 dyne/cm; (18)Enthalpy of Vaporization: 63.62 kJ/mol; (19)Vapour Pressure: 3.37×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(nn(C)c1N)C2CCCC2
(2)InChI: InChI=1/C10H14N4/c1-14-10(12)8(6-11)9(13-14)7-4-2-3-5-7/h7H,2-5,12H2,1H3
(3)InChIKey: ZATPDPONLXJIHL-UHFFFAOYAA

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