N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide

C23H19N3O2 — CID 11696353

IUPACN-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESCOc1cccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c1-28-20-14-8-13-19(15-20)26-22(24-23(27)18-11-6-3-7-12-18)16-21(25-26)17-9-4-2-5-10-17/h2-16H,1H3,(H,24,27)
InChIKeyPHJRGBLZBGYLSS-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.80
Rot. Bonds5

About N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide

N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide (PubChem CID 11696353) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide
PubChem CID11696353
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESCOc1cccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c1-28-20-14-8-13-19(15-20)26-22(24-23(27)18-11-6-3-7-12-18)16-21(25-26)17-9-4-2-5-10-17/h2-16H,1H3,(H,24,27)
InChIKeyPHJRGBLZBGYLSS-UHFFFAOYSA-N
XLogP4.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[1-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]amino}benzoic acid
CID 2727739
9-[3-(dimethylamino)propoxy]-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 135971394
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2353715
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
4-methoxy-N-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 819077
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
6-(4-Amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135948887
3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137297367
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide (CID 11696353) is N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide is COc1cccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide?
The InChIKey is PHJRGBLZBGYLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-20-14-8-13-19(15-20)26-22(24-23(27)18-11-6-3-7-12-18)16-21(25-26)17-9-4-2-5-10-17/h2-16H,1H3,(H,24,27).
What are the key properties of N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide?
N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 11696353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).