N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide

C11H8F3N3O — CID 43430659

IUPACN-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cn[nH]c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)9-4-2-1-3-8(9)10(18)17-7-5-15-16-6-7/h1-6H,(H,15,16)(H,17,18)
InChIKeyAJIYMXAGEBSSPE-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.68
Rot. Bonds2

About N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide

N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide (PubChem CID 43430659) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
PubChem CID43430659
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC NameN-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cn[nH]c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)9-4-2-1-3-8(9)10(18)17-7-5-15-16-6-7/h1-6H,(H,15,16)(H,17,18)
InChIKeyAJIYMXAGEBSSPE-UHFFFAOYSA-N
XLogP2.68
TPSA57.78 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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide (CID 43430659) is N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide is O=C(Nc1cn[nH]c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is AJIYMXAGEBSSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)9-4-2-1-3-8(9)10(18)17-7-5-15-16-6-7/h1-6H,(H,15,16)(H,17,18).
What are the key properties of N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide?
N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 255.20 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 43430659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).