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

C17H25ClN4O2 — CID 119608141

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc(-n2ccc(C(=O)NC(C)(CN)C(C)C)n2)cc1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-12(2)17(3,11-18)19-16(22)15-9-10-21(20-15)13-5-7-14(23-4)8-6-13;/h5-10,12H,11,18H2,1-4H3,(H,19,22);1H
InChIKeyOHMKQYALEHUHIF-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.41
Rot. Bonds6

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

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119608141) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119608141
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc(-n2ccc(C(=O)NC(C)(CN)C(C)C)n2)cc1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-12(2)17(3,11-18)19-16(22)15-9-10-21(20-15)13-5-7-14(23-4)8-6-13;/h5-10,12H,11,18H2,1-4H3,(H,19,22);1H
InChIKeyOHMKQYALEHUHIF-UHFFFAOYSA-N
XLogP2.41
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 119575055
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119667825
1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
CID 60571372
(2S)-2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119361697
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119607738
2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119223991
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 119608826
N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 119525053
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride
CID 119606880
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride
CID 119605619

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride (CID 119608141) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride is COc1ccc(-n2ccc(C(=O)NC(C)(CN)C(C)C)n2)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is OHMKQYALEHUHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-12(2)17(3,11-18)19-16(22)15-9-10-21(20-15)13-5-7-14(23-4)8-6-13;/h5-10,12H,11,18H2,1-4H3,(H,19,22);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119608141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).