3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid

C24H19N3O4 — CID 1287980

IUPAC3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C24H19N3O4/c1-31-20-12-6-7-16(14-20)22-21(15-27(26-22)19-10-3-2-4-11-19)23(28)25-18-9-5-8-17(13-18)24(29)30/h2-15H,1H3,(H,25,28)(H,29,30)
InChIKeyNFKXUBIZTFYIMB-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.50
Rot. Bonds6

About 3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid

3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid (PubChem CID 1287980) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
PubChem CID1287980
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C24H19N3O4/c1-31-20-12-6-7-16(14-20)22-21(15-27(26-22)19-10-3-2-4-11-19)23(28)25-18-9-5-8-17(13-18)24(29)30/h2-15H,1H3,(H,25,28)(H,29,30)
InChIKeyNFKXUBIZTFYIMB-UHFFFAOYSA-N
XLogP4.50
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55674688
N-[3-(3-cyanopropoxy)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55879339
3-(3-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 31845892
N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29206588
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
3-[[3-(5-methylthiophen-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 142738645
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 55369983
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60557988
methyl 2-[[3-[[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 55962642
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46797403
3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
CID 42988857

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid (CID 1287980) is 3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid is COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid?
The InChIKey is NFKXUBIZTFYIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-31-20-12-6-7-16(14-20)22-21(15-27(26-22)19-10-3-2-4-11-19)23(28)25-18-9-5-8-17(13-18)24(29)30/h2-15H,1H3,(H,25,28)(H,29,30).
What are the key properties of 3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid?
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid has a molecular weight of 413.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 1287980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).