4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid

C15H11N3O3 — CID 117233282

IUPAC4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1c(Oc2ccccc2)cnn1-c1ccncc1
InChIInChI=1S/C15H11N3O3/c19-15(20)14-13(21-12-4-2-1-3-5-12)10-17-18(14)11-6-8-16-9-7-11/h1-10H,(H,19,20)
InChIKeyIVJDMATZBLTPEO-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.76
Rot. Bonds4

About 4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid

4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid (PubChem CID 117233282) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid
PubChem CID117233282
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1c(Oc2ccccc2)cnn1-c1ccncc1
InChIInChI=1S/C15H11N3O3/c19-15(20)14-13(21-12-4-2-1-3-5-12)10-17-18(14)11-6-8-16-9-7-11/h1-10H,(H,19,20)
InChIKeyIVJDMATZBLTPEO-UHFFFAOYSA-N
XLogP2.76
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic 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

1-benzyl-4-phenoxypyrazole-5-carboxylic acid
CID 117232582
4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117233112
4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117232958
1-(4-chlorophenyl)-4-methoxypyrazole-5-carboxylic acid
CID 117233107
1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid
CID 20855127
1-[(3-methylphenyl)methyl]-4-phenoxypyrazole-5-carboxylic acid
CID 117232583
1-(4-phenoxyphenyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 53335493
4-phenoxy-1-(thian-3-ylmethyl)pyrazole-5-carboxylic acid
CID 117232388
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
2-(5-chloro-4-phenoxypyrazol-1-yl)phenol
CID 117232967
4-(3-ethylphenoxy)-1-methylpyrazole-5-carboxylic acid
CID 171832438
ethyl 4-methyl-1-phenylpyrazole-5-carboxylate;4-methyl-1-phenylpyrazole-5-carboxylic acid
CID 161129346

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid?
The IUPAC name of 4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid (CID 117233282) is 4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid is O=C(O)c1c(Oc2ccccc2)cnn1-c1ccncc1.
What is the InChIKey of 4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid?
The InChIKey is IVJDMATZBLTPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-15(20)14-13(21-12-4-2-1-3-5-12)10-17-18(14)11-6-8-16-9-7-11/h1-10H,(H,19,20).
What are the key properties of 4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid?
4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 117233282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).