4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid

C17H12F2N2O3 — CID 58156579

IUPAC4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnn(-c3cccc(OC(F)F)c3)c2)cc1
InChIInChI=1S/C17H12F2N2O3/c18-17(19)24-15-3-1-2-14(8-15)21-10-13(9-20-21)11-4-6-12(7-5-11)16(22)23/h1-10,17H,(H,22,23)
InChIKeyWIYLRCPHVHOSQL-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.84
Rot. Bonds5

About 4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid

4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid (PubChem CID 58156579) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is 4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid
PubChem CID58156579
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnn(-c3cccc(OC(F)F)c3)c2)cc1
InChIInChI=1S/C17H12F2N2O3/c18-17(19)24-15-3-1-2-14(8-15)21-10-13(9-20-21)11-4-6-12(7-5-11)16(22)23/h1-10,17H,(H,22,23)
InChIKeyWIYLRCPHVHOSQL-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-1-Benzopyran-2-one, 7-(3-methyl-1H-pyrazol-1-yl)-3-phenyl-
CID 80122
3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 882240
3-(3-Amino-4-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 1087054
1-benzyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 2608796
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 788035
3-[[4-[1-[4-[4-(Trifluoromethyl)pyrazol-1-yl]phenoxy]butyl]benzoyl]amino]propanoic acid
CID 60151375
3-[[4-[Cyclobutyl-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenoxy]methyl]benzoyl]amino]propanoic acid
CID 60151654
3-[[4-[2-Methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenoxy]propyl]benzoyl]amino]propanoic acid
CID 60151936
3-[[4-[3-Methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenoxy]butyl]benzoyl]amino]propanoic acid
CID 60151938
3-[[4-[Cyclopentyl-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenoxy]methyl]benzoyl]amino]propanoic acid
CID 68156716
2-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]acetic acid
CID 3646870

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid?
The IUPAC name of 4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid (CID 58156579) is 4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid.
What is the SMILES notation for 4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid?
The canonical SMILES for 4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid is O=C(O)c1ccc(-c2cnn(-c3cccc(OC(F)F)c3)c2)cc1.
What is the InChIKey of 4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid?
The InChIKey is WIYLRCPHVHOSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c18-17(19)24-15-3-1-2-14(8-15)21-10-13(9-20-21)11-4-6-12(7-5-11)16(22)23/h1-10,17H,(H,22,23).
What are the key properties of 4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid?
4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid has a molecular weight of 330.29 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid is sourced from PubChem (CID 58156579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).