N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride

C22H25ClN4O — CID 119601120

IUPACN-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H24N4O.ClH/c23-14-17-10-7-13-20(17)24-22(27)19-15-26(18-11-5-2-6-12-18)25-21(19)16-8-3-1-4-9-16;/h1-6,8-9,11-12,15,17,20H,7,10,13-14,23H2,(H,24,27);1H
InChIKeyGRLVFKIWKNPLFQ-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119601120) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
PubChem CID119601120
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H24N4O.ClH/c23-14-17-10-7-13-20(17)24-22(27)19-15-26(18-11-5-2-6-12-18)25-21(19)16-8-3-1-4-9-16;/h1-6,8-9,11-12,15,17,20H,7,10,13-14,23H2,(H,24,27);1H
InChIKeyGRLVFKIWKNPLFQ-UHFFFAOYSA-N
XLogP3.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119601096
N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 119601097
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide
CID 119602881
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119604031
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
3-(4-methoxyphenyl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide
CID 120577382
N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119603577
N-[2-(aminomethyl)cyclopentyl]-2-(tetrazol-1-yl)benzamide
CID 119602087

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride (CID 119601120) is N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is GRLVFKIWKNPLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.ClH/c23-14-17-10-7-13-20(17)24-22(27)19-15-26(18-11-5-2-6-12-18)25-21(19)16-8-3-1-4-9-16;/h1-6,8-9,11-12,15,17,20H,7,10,13-14,23H2,(H,24,27);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119601120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).