N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide

C13H12FN3O — CID 166219983

IUPACN-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1-c1cccc(F)c1)C1CC1
InChIInChI=1S/C13H12FN3O/c14-10-2-1-3-11(8-10)17-12(6-7-15-17)16-13(18)9-4-5-9/h1-3,6-9H,4-5H2,(H,16,18)
InChIKeyNCBFSEMROUJNBV-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.36
Rot. Bonds3

About N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide

N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 166219983) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID166219983
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1-c1cccc(F)c1)C1CC1
InChIInChI=1S/C13H12FN3O/c14-10-2-1-3-11(8-10)17-12(6-7-15-17)16-13(18)9-4-5-9/h1-3,6-9H,4-5H2,(H,16,18)
InChIKeyNCBFSEMROUJNBV-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide 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

N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119773583
2,6-dichloro-5-fluoro-N-[2-(3-fluorophenyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 139006784
N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
CID 122138944
1-(2-methylpropanoyl)-N-(2-phenylpyrazol-3-yl)piperidine-4-carboxamide
CID 146091632
(2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 124617036
1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide
CID 56573678
N-(2-phenylpyrazol-3-yl)acetamide
CID 12678799
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide
CID 63012340
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53070632

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide (CID 166219983) is N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccnn1-c1cccc(F)c1)C1CC1.
What is the InChIKey of N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is NCBFSEMROUJNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-10-2-1-3-11(8-10)17-12(6-7-15-17)16-13(18)9-4-5-9/h1-3,6-9H,4-5H2,(H,16,18).
What are the key properties of N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 245.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166219983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).