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

C20H20FN3O2 — CID 55581064

IUPAC1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c(O)c1
InChIInChI=1S/C20H20FN3O2/c1-12(2)19-16(11-22-24(19)15-7-5-14(21)6-8-15)20(26)23-17-9-4-13(3)10-18(17)25/h4-12,25H,1-3H3,(H,23,26)
InChIKeyMOLRMTIVNOAJGA-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.40
Rot. Bonds4

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

1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55581064) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55581064
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c(O)c1
InChIInChI=1S/C20H20FN3O2/c1-12(2)19-16(11-22-24(19)15-7-5-14(21)6-8-15)20(26)23-17-9-4-13(3)10-18(17)25/h4-12,25H,1-3H3,(H,23,26)
InChIKeyMOLRMTIVNOAJGA-UHFFFAOYSA-N
XLogP4.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.40
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-propan-2-ylpyrazole-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-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 55581064) is 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c(O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is MOLRMTIVNOAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12(2)19-16(11-22-24(19)15-7-5-14(21)6-8-15)20(26)23-17-9-4-13(3)10-18(17)25/h4-12,25H,1-3H3,(H,23,26).
What are the key properties of 1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 4.40, 4 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-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55581064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).