1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H15F3N6O — CID 155959489

IUPAC1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(C(F)(F)F)nn2C2CC2)nn1-c1ccccc1
InChIInChI=1S/C17H15F3N6O/c1-10-21-16(24-25(10)11-5-3-2-4-6-11)22-15(27)13-9-14(17(18,19)20)23-26(13)12-7-8-12/h2-6,9,12H,7-8H2,1H3,(H,22,24,27)
InChIKeyWKKLDIZAGJXPEU-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.38
Rot. Bonds4

About 1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 155959489) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID155959489
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC Name1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(C(F)(F)F)nn2C2CC2)nn1-c1ccccc1
InChIInChI=1S/C17H15F3N6O/c1-10-21-16(24-25(10)11-5-3-2-4-6-11)22-15(27)13-9-14(17(18,19)20)23-26(13)12-7-8-12/h2-6,9,12H,7-8H2,1H3,(H,22,24,27)
InChIKeyWKKLDIZAGJXPEU-UHFFFAOYSA-N
XLogP3.38
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 155959489) is 1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1nc(NC(=O)c2cc(C(F)(F)F)nn2C2CC2)nn1-c1ccccc1.
What is the InChIKey of 1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is WKKLDIZAGJXPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O/c1-10-21-16(24-25(10)11-5-3-2-4-6-11)22-15(27)13-9-14(17(18,19)20)23-26(13)12-7-8-12/h2-6,9,12H,7-8H2,1H3,(H,22,24,27).
What are the key properties of 1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 155959489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).