3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H10FN3O — CID 57464661

IUPAC3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1C(N)=O
InChIInChI=1S/C11H10FN3O/c1-6-9(11(13)16)10(15-14-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,16)(H,14,15)
InChIKeyRHJOXHWTIUNYKW-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.62
Rot. Bonds2

About 3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 57464661) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID57464661
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1C(N)=O
InChIInChI=1S/C11H10FN3O/c1-6-9(11(13)16)10(15-14-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,16)(H,14,15)
InChIKeyRHJOXHWTIUNYKW-UHFFFAOYSA-N
XLogP1.62
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-5-methyl-1H-pyrazole-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 3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 57464661) is 3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(-c2ccc(F)cc2)c1C(N)=O.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is RHJOXHWTIUNYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-6-9(11(13)16)10(15-14-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,16)(H,14,15).
What are the key properties of 3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 57464661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).