N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide

C17H21ClN4O — CID 119602881

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC1CCCC1CN
InChIInChI=1S/C17H21ClN4O/c1-11-15(17(23)20-16-4-2-3-12(16)9-19)10-22(21-11)14-7-5-13(18)6-8-14/h5-8,10,12,16H,2-4,9,19H2,1H3,(H,20,23)
InChIKeyACQXWGIEIRPVFE-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide

N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 119602881) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide
PubChem CID119602881
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC1CCCC1CN
InChIInChI=1S/C17H21ClN4O/c1-11-15(17(23)20-16-4-2-3-12(16)9-19)10-22(21-11)14-7-5-13(18)6-8-14/h5-8,10,12,16H,2-4,9,19H2,1H3,(H,20,23)
InChIKeyACQXWGIEIRPVFE-UHFFFAOYSA-N
XLogP2.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119603915
N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 119601120
N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride
CID 119590571
N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 119601097
N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119601096
N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
CID 167856111
N-[2-(aminomethyl)cyclopentyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119603790
1-(4-chlorophenyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119512235
N-[2-(aminomethyl)cyclopentyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119602696
N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119603577
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide (CID 119602881) is N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide is Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is ACQXWGIEIRPVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11-15(17(23)20-16-4-2-3-12(16)9-19)10-22(21-11)14-7-5-13(18)6-8-14/h5-8,10,12,16H,2-4,9,19H2,1H3,(H,20,23).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 2.69, 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)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119602881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).