N-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide

C23H19N3O — CID 11279648

IUPACN-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H19N3O/c1-17-9-8-12-19(15-17)23(27)24-22-16-21(18-10-4-2-5-11-18)25-26(22)20-13-6-3-7-14-20/h2-16H,1H3,(H,24,27)
InChIKeyZHJHRQRNTYRLFA-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.10
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide

N-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide (PubChem CID 11279648) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide
PubChem CID11279648
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H19N3O/c1-17-9-8-12-19(15-17)23(27)24-22-16-21(18-10-4-2-5-11-18)25-26(22)20-13-6-3-7-14-20/h2-16H,1H3,(H,24,27)
InChIKeyZHJHRQRNTYRLFA-UHFFFAOYSA-N
XLogP5.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide
CID 11610682
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
VU-1545
CID 11625520
4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One
CID 11652621
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide (CID 11279648) is N-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide?
The InChIKey is ZHJHRQRNTYRLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-17-9-8-12-19(15-17)23(27)24-22-16-21(18-10-4-2-5-11-18)25-26(22)20-13-6-3-7-14-20/h2-16H,1H3,(H,24,27).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide?
N-(1,3-diphenylpyrazol-5-yl)-3-methylbenzamide has a molecular weight of 353.43 g/mol, XLogP of 5.10, 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-methylbenzamide is sourced from PubChem (CID 11279648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).