N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride

C23H27ClN4O — CID 119601096

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C23H26N4O.ClH/c1-16-8-5-6-12-19(16)22-20(15-27(26-22)18-10-3-2-4-11-18)23(28)25-21-13-7-9-17(21)14-24;/h2-6,8,10-12,15,17,21H,7,9,13-14,24H2,1H3,(H,25,28);1H
InChIKeyYZIVVWBYRAKECQ-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.13
Rot. Bonds5

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

N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119601096) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID119601096
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C23H26N4O.ClH/c1-16-8-5-6-12-19(16)22-20(15-27(26-22)18-10-3-2-4-11-18)23(28)25-21-13-7-9-17(21)14-24;/h2-6,8,10-12,15,17,21H,7,9,13-14,24H2,1H3,(H,25,28);1H
InChIKeyYZIVVWBYRAKECQ-UHFFFAOYSA-N
XLogP4.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.13
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
CID 119601097
N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 119601120
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide
CID 119602881
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119604031
3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369411
N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119603440
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
3-(2-methylphenyl)-1-phenyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide
CID 146089712

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 119601096) is N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride is Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is YZIVVWBYRAKECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O.ClH/c1-16-8-5-6-12-19(16)22-20(15-27(26-22)18-10-3-2-4-11-18)23(28)25-21-13-7-9-17(21)14-24;/h2-6,8,10-12,15,17,21H,7,9,13-14,24H2,1H3,(H,25,28);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 4.13, 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]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119601096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).