4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C17H13F2N3O — CID 19338140

IUPAC4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(F)cc1
InChIInChI=1S/C17H13F2N3O/c18-14-6-4-13(5-7-14)17(23)21-16-9-20-22(11-16)10-12-2-1-3-15(19)8-12/h1-9,11H,10H2,(H,21,23)
InChIKeyZFMMZCCALMNSNO-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.46
Rot. Bonds4

About 4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide

4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19338140) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19338140
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(F)cc1
InChIInChI=1S/C17H13F2N3O/c18-14-6-4-13(5-7-14)17(23)21-16-9-20-22(11-16)10-12-2-1-3-15(19)8-12/h1-9,11H,10H2,(H,21,23)
InChIKeyZFMMZCCALMNSNO-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide 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

3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336537
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525
3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336383
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide
CID 46951892
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19584119
2,3-dichloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336536
3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336412
4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475916
1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262297
4-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475123

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 19338140) is 4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is ZFMMZCCALMNSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c18-14-6-4-13(5-7-14)17(23)21-16-9-20-22(11-16)10-12-2-1-3-15(19)8-12/h1-9,11H,10H2,(H,21,23).
What are the key properties of 4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 313.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19338140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).