N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide

C25H23N3O — CID 19473295

IUPACN-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)c1C
InChIInChI=1S/C25H23N3O/c1-17-11-10-16-22(18(17)2)26-25(29)23-19(3)28(21-14-8-5-9-15-21)27-24(23)20-12-6-4-7-13-20/h4-16H,1-3H3,(H,26,29)
InChIKeyXBHABKHOCLHQQT-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.72
Rot. Bonds4

About N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide

N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19473295) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19473295
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)c1C
InChIInChI=1S/C25H23N3O/c1-17-11-10-16-22(18(17)2)26-25(29)23-19(3)28(21-14-8-5-9-15-21)27-24(23)20-12-6-4-7-13-20/h4-16H,1-3H3,(H,26,29)
InChIKeyXBHABKHOCLHQQT-UHFFFAOYSA-N
XLogP5.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472293
N-(2,3-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790783
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19473299
N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473310
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473450
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 19473295) is N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide is Cc1cccc(NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is XBHABKHOCLHQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-17-11-10-16-22(18(17)2)26-25(29)23-19(3)28(21-14-8-5-9-15-21)27-24(23)20-12-6-4-7-13-20/h4-16H,1-3H3,(H,26,29).
What are the key properties of N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19473295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).