N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride

C17H25ClN4O2 — CID 119608497

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCc1ccc(-n2[nH]c(C(=O)NC(C)(CN)C(C)C)cc2=O)cc1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-11(2)17(4,10-18)19-16(23)14-9-15(22)21(20-14)13-7-5-12(3)6-8-13;/h5-9,11,20H,10,18H2,1-4H3,(H,19,23);1H
InChIKeyNKNCLCOWMFUCPJ-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.00
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 119608497) 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)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID119608497
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCc1ccc(-n2[nH]c(C(=O)NC(C)(CN)C(C)C)cc2=O)cc1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-11(2)17(4,10-18)19-16(23)14-9-15(22)21(20-14)13-7-5-12(3)6-8-13;/h5-9,11,20H,10,18H2,1-4H3,(H,19,23);1H
InChIKeyNKNCLCOWMFUCPJ-UHFFFAOYSA-N
XLogP2.00
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide
CID 81485961
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 113283943
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119606629
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 81486834
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119608267
2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119448604
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119607404
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride
CID 119605692
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119608616
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 119607727
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide
CID 115310453

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride (CID 119608497) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride is Cc1ccc(-n2[nH]c(C(=O)NC(C)(CN)C(C)C)cc2=O)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is NKNCLCOWMFUCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-11(2)17(4,10-18)19-16(23)14-9-15(22)21(20-14)13-7-5-12(3)6-8-13;/h5-9,11,20H,10,18H2,1-4H3,(H,19,23);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 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)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119608497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).