5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide

C12H16F2N6O — CID 125174156

IUPAC5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc(C(F)F)[nH]n1)c1ncnn1C
InChIInChI=1S/C12H16F2N6O/c1-6(2)9(11-15-5-16-20(11)3)17-12(21)8-4-7(10(13)14)18-19-8/h4-6,9-10H,1-3H3,(H,17,21)(H,18,19)/t9-/m0/s1
InChIKeyFAAGNWPKOXWDGC-VIFPVBQESA-N
MW298.30 g/mol
LogP1.60
Rot. Bonds5

About 5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide (PubChem CID 125174156) has the molecular formula C12H16F2N6O and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide
PubChem CID125174156
Molecular FormulaC12H16F2N6O
Molecular Weight298.30 g/mol
Exact Mass298.14
IUPAC Name5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc(C(F)F)[nH]n1)c1ncnn1C
InChIInChI=1S/C12H16F2N6O/c1-6(2)9(11-15-5-16-20(11)3)17-12(21)8-4-7(10(13)14)18-19-8/h4-6,9-10H,1-3H3,(H,17,21)(H,18,19)/t9-/m0/s1
InChIKeyFAAGNWPKOXWDGC-VIFPVBQESA-N
XLogP1.60
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide (CID 125174156) is 5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide is CC(C)[C@H](NC(=O)c1cc(C(F)F)[nH]n1)c1ncnn1C.
What is the InChIKey of 5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FAAGNWPKOXWDGC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F2N6O/c1-6(2)9(11-15-5-16-20(11)3)17-12(21)8-4-7(10(13)14)18-19-8/h4-6,9-10H,1-3H3,(H,17,21)(H,18,19)/t9-/m0/s1.
What are the key properties of 5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125174156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).