N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride

C24H29ClN4O — CID 119477405

IUPACN-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCC(N)CC2)cc1C.Cl
InChIInChI=1S/C24H28N4O.ClH/c1-16-8-9-18(14-17(16)2)23-22(15-28(27-23)21-6-4-3-5-7-21)24(29)26-20-12-10-19(25)11-13-20;/h3-9,14-15,19-20H,10-13,25H2,1-2H3,(H,26,29);1H
InChIKeyDFCKBKHIBCKZTA-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.58
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119477405) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID119477405
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC NameN-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCC(N)CC2)cc1C.Cl
InChIInChI=1S/C24H28N4O.ClH/c1-16-8-9-18(14-17(16)2)23-22(15-28(27-23)21-6-4-3-5-7-21)24(29)26-20-12-10-19(25)11-13-20;/h3-9,14-15,19-20H,10-13,25H2,1-2H3,(H,26,29);1H
InChIKeyDFCKBKHIBCKZTA-UHFFFAOYSA-N
XLogP4.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126772957
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2412473
3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119452890
3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 9224757
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 26419045
3-(3,4-dimethylphenyl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 55869482
3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795989
N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 78767481
3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 9162880
3-(3,4-dimethylphenyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 9227765

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 119477405) is N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCC(N)CC2)cc1C.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is DFCKBKHIBCKZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O.ClH/c1-16-8-9-18(14-17(16)2)23-22(15-28(27-23)21-6-4-3-5-7-21)24(29)26-20-12-10-19(25)11-13-20;/h3-9,14-15,19-20H,10-13,25H2,1-2H3,(H,26,29);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 424.98 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119477405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).