N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide

C14H12F3N3O — CID 5330981

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)10-3-1-2-9(6-10)13(21)18-12-7-11(19-20-12)8-4-5-8/h1-3,6-8H,4-5H2,(H2,18,19,20,21)
InChIKeyWPMMQMUUPOYKSQ-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.56
Rot. Bonds3

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 5330981) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
PubChem CID5330981
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)10-3-1-2-9(6-10)13(21)18-12-7-11(19-20-12)8-4-5-8/h1-3,6-8H,4-5H2,(H2,18,19,20,21)
InChIKeyWPMMQMUUPOYKSQ-UHFFFAOYSA-N
XLogP3.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide (CID 5330981) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is WPMMQMUUPOYKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)10-3-1-2-9(6-10)13(21)18-12-7-11(19-20-12)8-4-5-8/h1-3,6-8H,4-5H2,(H2,18,19,20,21).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 295.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 5330981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).