5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide

C11H8F3N3O — CID 68607689

IUPAC5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(-c2ccn[nH]2)ccc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-2-1-6(5-7(8)10(15)18)9-3-4-16-17-9/h1-5H,(H2,15,18)(H,16,17)
InChIKeyIMBVMZUHSOLYAG-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.19
Rot. Bonds2

About 5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide

5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide (PubChem CID 68607689) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide
PubChem CID68607689
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(-c2ccn[nH]2)ccc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-2-1-6(5-7(8)10(15)18)9-3-4-16-17-9/h1-5H,(H2,15,18)(H,16,17)
InChIKeyIMBVMZUHSOLYAG-UHFFFAOYSA-N
XLogP2.19
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide (CID 68607689) is 5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide is NC(=O)c1cc(-c2ccn[nH]2)ccc1C(F)(F)F.
What is the InChIKey of 5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is IMBVMZUHSOLYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)8-2-1-6(5-7(8)10(15)18)9-3-4-16-17-9/h1-5H,(H2,15,18)(H,16,17).
What are the key properties of 5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide?
5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 255.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 68607689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).