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

C16H22N4O — CID 119653124

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-16(2,10-17)11-20(3)15(21)13-9-18-19-14(13)12-7-5-4-6-8-12/h4-9H,10-11,17H2,1-3H3,(H,18,19)
InChIKeyYJHGJTOPBYAELV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.13
Rot. Bonds5

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

N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 119653124) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID119653124
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-16(2,10-17)11-20(3)15(21)13-9-18-19-14(13)12-7-5-4-6-8-12/h4-9H,10-11,17H2,1-3H3,(H,18,19)
InChIKeyYJHGJTOPBYAELV-UHFFFAOYSA-N
XLogP2.13
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119653733
N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119657135
methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate
CID 43409768
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 61032083
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 86855483
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103807676
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 72872063
5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
CID 16596269
N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide (CID 119653124) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide is CN(CC(C)(C)CN)C(=O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is YJHGJTOPBYAELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,10-17)11-20(3)15(21)13-9-18-19-14(13)12-7-5-4-6-8-12/h4-9H,10-11,17H2,1-3H3,(H,18,19).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 119653124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).