N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride

C17H25ClN4O2 — CID 119653733

IUPACN-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N(C)CC(C)(C)CN)cc1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-17(2,10-18)11-21(3)16(22)14-9-19-20-15(14)12-5-7-13(23-4)8-6-12;/h5-9H,10-11,18H2,1-4H3,(H,19,20);1H
InChIKeySBQFGGPTYYEWGB-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.56
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 119653733) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID119653733
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N(C)CC(C)(C)CN)cc1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-17(2,10-18)11-21(3)16(22)14-9-19-20-15(14)12-5-7-13(23-4)8-6-12;/h5-9H,10-11,18H2,1-4H3,(H,19,20);1H
InChIKeySBQFGGPTYYEWGB-UHFFFAOYSA-N
XLogP2.56
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-(4-fluorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 119656770
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 119653124
N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119657135
N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119658474
5-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-4-carboxamide
CID 78834288
5-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 78834249
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654263
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide
CID 119654264
2-fluoroethyl 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
CID 75523916
methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78834055
N-(3-amino-2,2-dimethylpropyl)-2,3,4-trimethoxy-N-methylbenzamide;hydrochloride
CID 119654821

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride (CID 119653733) is N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride is COc1ccc(-c2[nH]ncc2C(=O)N(C)CC(C)(C)CN)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is SBQFGGPTYYEWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-17(2,10-18)11-21(3)16(22)14-9-19-20-15(14)12-5-7-13(23-4)8-6-12;/h5-9H,10-11,18H2,1-4H3,(H,19,20);1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119653733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).