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

C17H24Cl2N4O — CID 119599531

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cnn(-c2cccc(Cl)c2)c1.Cl
InChIInChI=1S/C17H23ClN4O.ClH/c1-12(2)8-17(3,11-19)21-16(23)13-9-20-22(10-13)15-6-4-5-14(18)7-15;/h4-7,9-10,12H,8,11,19H2,1-3H3,(H,21,23);1H
InChIKeyXZYJVUHBZWIGOM-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.44
Rot. Bonds6

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

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119599531) has the molecular formula C17H24Cl2N4O and a molecular weight of 371.31 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119599531
Molecular FormulaC17H24Cl2N4O
Molecular Weight371.31 g/mol
Exact Mass370.13
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cnn(-c2cccc(Cl)c2)c1.Cl
InChIInChI=1S/C17H23ClN4O.ClH/c1-12(2)8-17(3,11-19)21-16(23)13-9-20-22(10-13)15-6-4-5-14(18)7-15;/h4-7,9-10,12H,8,11,19H2,1-3H3,(H,21,23);1H
InChIKeyXZYJVUHBZWIGOM-UHFFFAOYSA-N
XLogP3.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119599101
N-[3-(aminomethyl)pentan-3-yl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 119571092
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119598750
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119607994
4-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204645
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119608974
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119574896
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119599263

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride (CID 119599531) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1cnn(-c2cccc(Cl)c2)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is XZYJVUHBZWIGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O.ClH/c1-12(2)8-17(3,11-19)21-16(23)13-9-20-22(10-13)15-6-4-5-14(18)7-15;/h4-7,9-10,12H,8,11,19H2,1-3H3,(H,21,23);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 371.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119599531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).