N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride

C16H22Cl2N4O — CID 119607994

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1.Cl
InChIInChI=1S/C16H21ClN4O.ClH/c1-11(2)16(3,10-18)20-15(22)12-8-19-21(9-12)14-6-4-13(17)5-7-14;/h4-9,11H,10,18H2,1-3H3,(H,20,22);1H
InChIKeyOTXDEOVPFNXYSA-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.05
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119607994) has the molecular formula C16H22Cl2N4O and a molecular weight of 357.29 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119607994
Molecular FormulaC16H22Cl2N4O
Molecular Weight357.29 g/mol
Exact Mass356.12
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1.Cl
InChIInChI=1S/C16H21ClN4O.ClH/c1-11(2)16(3,10-18)20-15(22)12-8-19-21(9-12)14-6-4-13(17)5-7-14;/h4-9,11H,10,18H2,1-3H3,(H,20,22);1H
InChIKeyOTXDEOVPFNXYSA-UHFFFAOYSA-N
XLogP3.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119608974
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CID 119574896
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119599531
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119607738
N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119599101
1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 55892350
N-[3-(aminomethyl)pentan-3-yl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 119571092
1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111461412
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119603915
N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride
CID 119607123
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride (CID 119607994) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is OTXDEOVPFNXYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O.ClH/c1-11(2)16(3,10-18)20-15(22)12-8-19-21(9-12)14-6-4-13(17)5-7-14;/h4-9,11H,10,18H2,1-3H3,(H,20,22);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 357.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119607994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).