3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

C17H18F3N7O2 — CID 146381291

About 3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146381291) has the molecular formula C17H18F3N7O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 146381291
• Molecular Formula: C17H18F3N7O2
• Molecular Weight: 409.37 g/mol
• Exact Mass: 409.15
• IUPAC Name: 3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: COCc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C(F)(F)F)n1
• InChI: InChI=1S/C17H18F3N7O2/c1-10(17(18,19)20)27-9-21-24-15(27)12-5-4-6-14(22-12)23-16(28)11-7-26(2)25-13(11)8-29-3/h4-7,9-10H,8H2,1-3H3,(H,22,23,28)
• InChIKey: IWPXFGGBGDCSPE-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.37
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of 3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (CID 146381291) is 3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for 3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for 3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is COCc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C(F)(F)F)n1.

What is the InChIKey of 3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is IWPXFGGBGDCSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7O2/c1-10(17(18,19)20)27-9-21-24-15(27)12-5-4-6-14(22-12)23-16(28)11-7-26(2)25-13(11)8-29-3/h4-7,9-10H,8H2,1-3H3,(H,22,23,28).

What are the key properties of 3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?

3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146381291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).