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

C13H15F3N6O — CID 146124332

IUPACN-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2nnc(C)n2C2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H15F3N6O/c1-3-21-6-9(10(20-21)13(14,15)16)11(23)17-12-19-18-7(2)22(12)8-4-5-8/h6,8H,3-5H2,1-2H3,(H,17,19,23)
InChIKeyJCQMPAXKWUMGLY-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.41
Rot. Bonds4

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

N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146124332) has the molecular formula C13H15F3N6O and a molecular weight of 328.30 g/mol. Its IUPAC name is N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID146124332
Molecular FormulaC13H15F3N6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC NameN-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2nnc(C)n2C2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H15F3N6O/c1-3-21-6-9(10(20-21)13(14,15)16)11(23)17-12-19-18-7(2)22(12)8-4-5-8/h6,8H,3-5H2,1-2H3,(H,17,19,23)
InChIKeyJCQMPAXKWUMGLY-UHFFFAOYSA-N
XLogP2.41
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 146124332) is N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2nnc(C)n2C2CC2)c(C(F)(F)F)n1.
What is the InChIKey of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is JCQMPAXKWUMGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O/c1-3-21-6-9(10(20-21)13(14,15)16)11(23)17-12-19-18-7(2)22(12)8-4-5-8/h6,8H,3-5H2,1-2H3,(H,17,19,23).
What are the key properties of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 328.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146124332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).