N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide

C18H17N3O — CID 19473549

IUPACN,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H17N3O/c1-13-16(18(22)19-2)17(14-9-5-3-6-10-14)20-21(13)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,19,22)
InChIKeyWETAWGGVPIQCQR-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.21
Rot. Bonds3

About N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide

N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19473549) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19473549
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H17N3O/c1-13-16(18(22)19-2)17(14-9-5-3-6-10-14)20-21(13)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,19,22)
InChIKeyWETAWGGVPIQCQR-UHFFFAOYSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473295
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315
5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 4016241
5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19473299
5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 143069575
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19473385
N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473450
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473366

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide (CID 19473549) is N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide is CNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C.
What is the InChIKey of N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is WETAWGGVPIQCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-16(18(22)19-2)17(14-9-5-3-6-10-14)20-21(13)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,19,22).
What are the key properties of N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide?
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19473549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).