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

C24H19N3O3 — CID 1342167

IUPAC4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H19N3O3/c1-16-7-9-17(10-8-16)22-21(15-27(26-22)20-5-3-2-4-6-20)23(28)25-19-13-11-18(12-14-19)24(29)30/h2-15H,1H3,(H,25,28)(H,29,30)
InChIKeyUGDHSECGBGLVBQ-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.80
Rot. Bonds5

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

4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid (PubChem CID 1342167) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
PubChem CID1342167
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H19N3O3/c1-16-7-9-17(10-8-16)22-21(15-27(26-22)20-5-3-2-4-6-20)23(28)25-19-13-11-18(12-14-19)24(29)30/h2-15H,1H3,(H,25,28)(H,29,30)
InChIKeyUGDHSECGBGLVBQ-UHFFFAOYSA-N
XLogP4.80
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid (CID 1342167) is 4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid?
The InChIKey is UGDHSECGBGLVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-16-7-9-17(10-8-16)22-21(15-27(26-22)20-5-3-2-4-6-20)23(28)25-19-13-11-18(12-14-19)24(29)30/h2-15H,1H3,(H,25,28)(H,29,30).
What are the key properties of 4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid?
4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid has a molecular weight of 397.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 1342167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).