1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide

C12H15F3N6O — CID 171679225

IUPAC1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2nc(C(F)(F)F)nn2C)n(C)n1
InChIInChI=1S/C12H15F3N6O/c1-6(2)7-5-8(20(3)18-7)9(22)16-11-17-10(12(13,14)15)19-21(11)4/h5-6H,1-4H3,(H,16,17,19,22)
InChIKeyLPLCJZLYYKYSOA-UHFFFAOYSA-N
MW316.29 g/mol
LogP1.94
Rot. Bonds3

About 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide

1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 171679225) has the molecular formula C12H15F3N6O and a molecular weight of 316.29 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID171679225
Molecular FormulaC12H15F3N6O
Molecular Weight316.29 g/mol
Exact Mass316.13
IUPAC Name1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2nc(C(F)(F)F)nn2C)n(C)n1
InChIInChI=1S/C12H15F3N6O/c1-6(2)7-5-8(20(3)18-7)9(22)16-11-17-10(12(13,14)15)19-21(11)4/h5-6H,1-4H3,(H,16,17,19,22)
InChIKeyLPLCJZLYYKYSOA-UHFFFAOYSA-N
XLogP1.94
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide (CID 171679225) is 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)Nc2nc(C(F)(F)F)nn2C)n(C)n1.
What is the InChIKey of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is LPLCJZLYYKYSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6O/c1-6(2)7-5-8(20(3)18-7)9(22)16-11-17-10(12(13,14)15)19-21(11)4/h5-6H,1-4H3,(H,16,17,19,22).
What are the key properties of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide?
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 316.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 171679225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).