3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine

C32H30F10N14O3 — CID 160546762

About 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine

3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 160546762) has the molecular formula C32H30F10N14O3 and a molecular weight of 848.67 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
• PubChem CID: 160546762
• Molecular Formula: C32H30F10N14O3
• Molecular Weight: 848.67 g/mol
• Exact Mass: 848.25
• IUPAC Name: 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
• SMILES: C[C@H](n1cnnc1-c1cccc(N)n1)C(F)(F)F.C[C@H](n1cnnc1-c1cccc(NC(=O)c2cn(C)nc2C(F)F)n1)C(F)(F)F.Cn1cc(C(=O)O)c(C(F)F)n1
• InChI: InChI=1S/C16H14F5N7O.C10H10F3N5.C6H6F2N2O2/c1-8(16(19,20)21)28-7-22-25-14(28)10-4-3-5-11(23-10)24-15(29)9-6-27(2)26-12(9)13(17)18;1-6(10(11,12)13)18-5-15-17-9(18)7-3-2-4-8(14)16-7;1-10-2-3(6(11)12)4(9-10)5(7)8/h3-8,13H,1-2H3,(H,23,24,29);2-6H,1H3,(H2,14,16);2,5H,1H3,(H,11,12)/t8-;6-;/m00./s1
• InChIKey: QXNNNQLLPOLXJS-MAQZFPPUSA-N
• XLogP: 6.49
• TPSA: 215.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	848.67
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?

The IUPAC name of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine (CID 160546762) is 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine.

What is the SMILES notation for 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?

The canonical SMILES for 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine is C[C@H](n1cnnc1-c1cccc(N)n1)C(F)(F)F.C[C@H](n1cnnc1-c1cccc(NC(=O)c2cn(C)nc2C(F)F)n1)C(F)(F)F.Cn1cc(C(=O)O)c(C(F)F)n1.

What is the InChIKey of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?

The InChIKey is QXNNNQLLPOLXJS-MAQZFPPUSA-N. The full InChI is InChI=1S/C16H14F5N7O.C10H10F3N5.C6H6F2N2O2/c1-8(16(19,20)21)28-7-22-25-14(28)10-4-3-5-11(23-10)24-15(29)9-6-27(2)26-12(9)13(17)18;1-6(10(11,12)13)18-5-15-17-9(18)7-3-2-4-8(14)16-7;1-10-2-3(6(11)12)4(9-10)5(7)8/h3-8,13H,1-2H3,(H,23,24,29);2-6H,1H3,(H2,14,16);2,5H,1H3,(H,11,12)/t8-;6-;/m00./s1.

What are the key properties of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?

3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 848.67 g/mol, XLogP of 6.49, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 160546762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).