3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide

C11H8F3N3O — CID 63186396

IUPAC3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H8F3N3O/c12-8-1-7(2-9(13)10(8)14)11(18)15-3-6-4-16-17-5-6/h1-2,4-5H,3H2,(H,15,18)(H,16,17)
InChIKeyFMLPXEUNOHLOSH-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.76
Rot. Bonds3

About 3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide

3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 63186396) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID63186396
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H8F3N3O/c12-8-1-7(2-9(13)10(8)14)11(18)15-3-6-4-16-17-5-6/h1-2,4-5H,3H2,(H,15,18)(H,16,17)
InChIKeyFMLPXEUNOHLOSH-UHFFFAOYSA-N
XLogP1.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)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

4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185938
3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61140950
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185894
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
N-(1H-pyrazol-4-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine
CID 63050204
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 62178514
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
4-carbamothioyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982080
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705
3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736173

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 63186396) is 3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide is O=C(NCc1cn[nH]c1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is FMLPXEUNOHLOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-8-1-7(2-9(13)10(8)14)11(18)15-3-6-4-16-17-5-6/h1-2,4-5H,3H2,(H,15,18)(H,16,17).
What are the key properties of 3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 255.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 63186396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).