N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide

C24H21N3O — CID 11494367

IUPACN-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1C
InChIInChI=1S/C24H21N3O/c1-17-13-14-20(15-18(17)2)24(28)25-23-16-22(19-9-5-3-6-10-19)26-27(23)21-11-7-4-8-12-21/h3-16H,1-2H3,(H,25,28)
InChIKeyJTABVHWBBCBYGG-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.41
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide

N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide (PubChem CID 11494367) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide
PubChem CID11494367
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1C
InChIInChI=1S/C24H21N3O/c1-17-13-14-20(15-18(17)2)24(28)25-23-16-22(19-9-5-3-6-10-19)26-27(23)21-11-7-4-8-12-21/h3-16H,1-2H3,(H,25,28)
InChIKeyJTABVHWBBCBYGG-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide (CID 11494367) is N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1C.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide?
The InChIKey is JTABVHWBBCBYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-17-13-14-20(15-18(17)2)24(28)25-23-16-22(19-9-5-3-6-10-19)26-27(23)21-11-7-4-8-12-21/h3-16H,1-2H3,(H,25,28).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide?
N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 11494367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).