4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid

C17H15N3O2 — CID 145013429

IUPAC4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
SMILESCc1c(-c2ccc(C(=O)O)cc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C17H15N3O2/c1-11-15(12-7-9-13(10-8-12)17(21)22)19-20(16(11)18)14-5-3-2-4-6-14/h2-10H,18H2,1H3,(H,21,22)
InChIKeyJMMFZISEZGNABJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.13
Rot. Bonds3

About 4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid

4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid (PubChem CID 145013429) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
PubChem CID145013429
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
SMILESCc1c(-c2ccc(C(=O)O)cc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C17H15N3O2/c1-11-15(12-7-9-13(10-8-12)17(21)22)19-20(16(11)18)14-5-3-2-4-6-14/h2-10H,18H2,1H3,(H,21,22)
InChIKeyJMMFZISEZGNABJ-UHFFFAOYSA-N
XLogP3.13
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-amino-4-methyl-1-phenylpyrazol-3-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

4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
[5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate
CID 142337250
ethane;4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
CID 142337289
3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine
CID 43336800
4-[5-amino-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzoic acid
CID 25219429
4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid
CID 22012959
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
4-ethyl-3-(4-methylphenyl)-1-phenylpyrazol-5-amine
CID 43670879
(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate
CID 174915893

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid?
The IUPAC name of 4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid (CID 145013429) is 4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid.
What is the SMILES notation for 4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid?
The canonical SMILES for 4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid is Cc1c(-c2ccc(C(=O)O)cc2)nn(-c2ccccc2)c1N.
What is the InChIKey of 4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid?
The InChIKey is JMMFZISEZGNABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-15(12-7-9-13(10-8-12)17(21)22)19-20(16(11)18)14-5-3-2-4-6-14/h2-10H,18H2,1H3,(H,21,22).
What are the key properties of 4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid?
4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid has a molecular weight of 293.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid is sourced from PubChem (CID 145013429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).