1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C14H12F3N3O — CID 175836206

IUPAC1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccccc2C2CC2)c1C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)12-10(13(18)21)7-19-20(12)11-4-2-1-3-9(11)8-5-6-8/h1-4,7-8H,5-6H2,(H2,18,21)
InChIKeyQYWQKFDRVGMGBZ-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.87
Rot. Bonds3

About 1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 175836206) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID175836206
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccccc2C2CC2)c1C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)12-10(13(18)21)7-19-20(12)11-4-2-1-3-9(11)8-5-6-8/h1-4,7-8H,5-6H2,(H2,18,21)
InChIKeyQYWQKFDRVGMGBZ-UHFFFAOYSA-N
XLogP2.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 175836206) is 1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2ccccc2C2CC2)c1C(F)(F)F.
What is the InChIKey of 1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is QYWQKFDRVGMGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)12-10(13(18)21)7-19-20(12)11-4-2-1-3-9(11)8-5-6-8/h1-4,7-8H,5-6H2,(H2,18,21).
What are the key properties of 1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175836206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).