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

C24H19N3O4 — CID 2360916

IUPAC4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H19N3O4/c1-31-20-13-9-16(10-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-7-17(8-12-18)24(29)30/h2-15H,1H3,(H,25,28)(H,29,30)
InChIKeyRUKQMASSYOJDDR-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.50
Rot. Bonds6

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

4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid (PubChem CID 2360916) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
PubChem CID2360916
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H19N3O4/c1-31-20-13-9-16(10-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-7-17(8-12-18)24(29)30/h2-15H,1H3,(H,25,28)(H,29,30)
InChIKeyRUKQMASSYOJDDR-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

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Related Compounds

3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
(+/-)-3-(4-(1-(4-(4,5,6,7-tetrahydro-2H-indazol-2-yl)phenoxy)butyl)benzamido)propanoic acid
CID 68178614
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 882240
2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl]propanamido}benzoic acid
CID 24741307
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
3-(3-Amino-4-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 1087054
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 788035
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
3-(4-(1-(3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid
CID 10461326
3-(4-((3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)benzamido)propanoic acid
CID 10483611

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid (CID 2360916) is 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid?
The InChIKey is RUKQMASSYOJDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-31-20-13-9-16(10-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-7-17(8-12-18)24(29)30/h2-15H,1H3,(H,25,28)(H,29,30).
What are the key properties of 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid?
4-[[3-(4-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 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 2360916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).