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

C11H12FN3O — CID 140532058

IUPAC5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide
SMILESCC1C(C(N)=O)=NNC1c1ccc(F)cc1
InChIInChI=1S/C11H12FN3O/c1-6-9(14-15-10(6)11(13)16)7-2-4-8(12)5-3-7/h2-6,9,14H,1H3,(H2,13,16)
InChIKeyIABXAOMIPILANM-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.95
Rot. Bonds2

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

5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide (PubChem CID 140532058) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide
PubChem CID140532058
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide
SMILESCC1C(C(N)=O)=NNC1c1ccc(F)cc1
InChIInChI=1S/C11H12FN3O/c1-6-9(14-15-10(6)11(13)16)7-2-4-8(12)5-3-7/h2-6,9,14H,1H3,(H2,13,16)
InChIKeyIABXAOMIPILANM-UHFFFAOYSA-N
XLogP0.95
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-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 5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide (CID 140532058) is 5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide is CC1C(C(N)=O)=NNC1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
The InChIKey is IABXAOMIPILANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-6-9(14-15-10(6)11(13)16)7-2-4-8(12)5-3-7/h2-6,9,14H,1H3,(H2,13,16).
What are the key properties of 5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide has a molecular weight of 221.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 140532058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).