2-methyl-N,N-diphenylpyrazole-3-carboxamide

C17H15N3O — CID 167438235

IUPAC2-methyl-N,N-diphenylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-19-16(12-13-18-19)17(21)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyNXNHFXXSUSAJND-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.40
Rot. Bonds3

About 2-methyl-N,N-diphenylpyrazole-3-carboxamide

2-methyl-N,N-diphenylpyrazole-3-carboxamide (PubChem CID 167438235) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-methyl-N,N-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N,N-diphenylpyrazole-3-carboxamide
PubChem CID167438235
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-methyl-N,N-diphenylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-19-16(12-13-18-19)17(21)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyNXNHFXXSUSAJND-UHFFFAOYSA-N
XLogP3.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-phenylpyrazole-3-carboxamide
CID 110467101
N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide
CID 62920452
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 131938566
2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 61011424
N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide
CID 55153792
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632
2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 60826661
3-[(2-methylpyrazole-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 54926839
2-[(2-methylpyrazole-3-carbonyl)-propylamino]acetic acid
CID 61006717
N-(2-chloroethyl)-N,2-dimethylpyrazole-3-carboxamide
CID 63391388
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone
CID 63960953

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-diphenylpyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N,N-diphenylpyrazole-3-carboxamide (CID 167438235) is 2-methyl-N,N-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N,N-diphenylpyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N,N-diphenylpyrazole-3-carboxamide is Cn1nccc1C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-N,N-diphenylpyrazole-3-carboxamide?
The InChIKey is NXNHFXXSUSAJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-19-16(12-13-18-19)17(21)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3.
What are the key properties of 2-methyl-N,N-diphenylpyrazole-3-carboxamide?
2-methyl-N,N-diphenylpyrazole-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 167438235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).