1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide

C18H16FN3O2 — CID 95935361

IUPAC1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c(O)c1
InChIInChI=1S/C18H16FN3O2/c1-11-3-8-16(17(23)9-11)21-18(24)15-10-20-22(12(15)2)14-6-4-13(19)5-7-14/h3-10,23H,1-2H3,(H,21,24)
InChIKeySNZXWFBCQNCZKA-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.59
Rot. Bonds3

About 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 95935361) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide
PubChem CID95935361
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c(O)c1
InChIInChI=1S/C18H16FN3O2/c1-11-3-8-16(17(23)9-11)21-18(24)15-10-20-22(12(15)2)14-6-4-13(19)5-7-14/h3-10,23H,1-2H3,(H,21,24)
InChIKeySNZXWFBCQNCZKA-UHFFFAOYSA-N
XLogP3.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide (CID 95935361) is 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c(O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is SNZXWFBCQNCZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-3-8-16(17(23)9-11)21-18(24)15-10-20-22(12(15)2)14-6-4-13(19)5-7-14/h3-10,23H,1-2H3,(H,21,24).
What are the key properties of 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 95935361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).