N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride

C17H25ClN4O — CID 119599101

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-13(2)9-17(3,12-18)20-16(22)14-10-19-21(11-14)15-7-5-4-6-8-15;/h4-8,10-11,13H,9,12,18H2,1-3H3,(H,20,22);1H
InChIKeyHSNLBEQSJWLGMS-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.79
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119599101) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID119599101
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-13(2)9-17(3,12-18)20-16(22)14-10-19-21(11-14)15-7-5-4-6-8-15;/h4-8,10-11,13H,9,12,18H2,1-3H3,(H,20,22);1H
InChIKeyHSNLBEQSJWLGMS-UHFFFAOYSA-N
XLogP2.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119607994
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
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CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 119597666
N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide
CID 64541460
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9327562
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119655061
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119598750

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 119599101) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is HSNLBEQSJWLGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-13(2)9-17(3,12-18)20-16(22)14-10-19-21(11-14)15-7-5-4-6-8-15;/h4-8,10-11,13H,9,12,18H2,1-3H3,(H,20,22);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 2.79, 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-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119599101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).