N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide

C16H19ClN4O — CID 119603915

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
SMILESNCC1CCCC1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H19ClN4O/c17-13-4-6-14(7-5-13)21-10-12(9-19-21)16(22)20-15-3-1-2-11(15)8-18/h4-7,9-11,15H,1-3,8,18H2,(H,20,22)
InChIKeyALMHBVPRBCGIAH-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide

N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide (PubChem CID 119603915) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
PubChem CID119603915
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
SMILESNCC1CCCC1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H19ClN4O/c17-13-4-6-14(7-5-13)21-10-12(9-19-21)16(22)20-15-3-1-2-11(15)8-18/h4-7,9-11,15H,1-3,8,18H2,(H,20,22)
InChIKeyALMHBVPRBCGIAH-UHFFFAOYSA-N
XLogP2.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide
CID 119602881
N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride
CID 119600768
N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119603577
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119574896
N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide
CID 80661828
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 106366042
N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride
CID 119611274
N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
CID 167856111
1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
CID 146124166
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119607994

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide (CID 119603915) is N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide is NCC1CCCC1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide?
The InChIKey is ALMHBVPRBCGIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-13-4-6-14(7-5-13)21-10-12(9-19-21)16(22)20-15-3-1-2-11(15)8-18/h4-7,9-11,15H,1-3,8,18H2,(H,20,22).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119603915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).