5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide

C15H14F2N6O2 — CID 166357435

IUPAC5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2cc(C(F)F)n(C)n2)n[nH]1
InChIInChI=1S/C15H14F2N6O2/c1-23-10(12(16)17)7-9(22-23)14(24)19-15-18-13(20-21-15)8-5-3-4-6-11(8)25-2/h3-7,12H,1-2H3,(H2,18,19,20,21,24)
InChIKeyFFNHFWWWPQWKFW-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.40
Rot. Bonds5

About 5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide

5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 166357435) has the molecular formula C15H14F2N6O2 and a molecular weight of 348.31 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID166357435
Molecular FormulaC15H14F2N6O2
Molecular Weight348.31 g/mol
Exact Mass348.11
IUPAC Name5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2cc(C(F)F)n(C)n2)n[nH]1
InChIInChI=1S/C15H14F2N6O2/c1-23-10(12(16)17)7-9(22-23)14(24)19-15-18-13(20-21-15)8-5-3-4-6-11(8)25-2/h3-7,12H,1-2H3,(H2,18,19,20,21,24)
InChIKeyFFNHFWWWPQWKFW-UHFFFAOYSA-N
XLogP2.40
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 166235076
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 55646276
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide
CID 55646004
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51119952
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55851334
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55646360
2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide
CID 71702488
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
CID 60510860
1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55646121
7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 55850180
5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide
CID 56508879

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide (CID 166357435) is 5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide is COc1ccccc1-c1nc(NC(=O)c2cc(C(F)F)n(C)n2)n[nH]1.
What is the InChIKey of 5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is FFNHFWWWPQWKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O2/c1-23-10(12(16)17)7-9(22-23)14(24)19-15-18-13(20-21-15)8-5-3-4-6-11(8)25-2/h3-7,12H,1-2H3,(H2,18,19,20,21,24).
What are the key properties of 5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide?
5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 348.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166357435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).