[5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol

C24H22F6N6O — CID 167019441

About [5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol

[5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol (PubChem CID 167019441) has the molecular formula C24H22F6N6O and a molecular weight of 524.47 g/mol. Its IUPAC name is [5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol.

Molecular Properties

• Compound Name: [5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol
• PubChem CID: 167019441
• Molecular Formula: C24H22F6N6O
• Molecular Weight: 524.47 g/mol
• Exact Mass: 524.18
• IUPAC Name: [5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol
• SMILES: Cc1cc(Cc2ccncc2Cc2cc(C(O)c3ccncc3)nn2CC(F)(F)F)nn1CC(F)(F)F
• InChI: InChI=1S/C24H22F6N6O/c1-15-8-19(33-35(15)13-23(25,26)27)9-17-4-7-32-12-18(17)10-20-11-21(34-36(20)14-24(28,29)30)22(37)16-2-5-31-6-3-16/h2-8,11-12,22,37H,9-10,13-14H2,1H3
• InChIKey: JHRYZOCGDGAVHB-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 81.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.47
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol?

The IUPAC name of [5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol (CID 167019441) is [5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol.

What is the SMILES notation for [5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol?

The canonical SMILES for [5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol is Cc1cc(Cc2ccncc2Cc2cc(C(O)c3ccncc3)nn2CC(F)(F)F)nn1CC(F)(F)F.

What is the InChIKey of [5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol?

The InChIKey is JHRYZOCGDGAVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6N6O/c1-15-8-19(33-35(15)13-23(25,26)27)9-17-4-7-32-12-18(17)10-20-11-21(34-36(20)14-24(28,29)30)22(37)16-2-5-31-6-3-16/h2-8,11-12,22,37H,9-10,13-14H2,1H3.

What are the key properties of [5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol?

[5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol has a molecular weight of 524.47 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-pyridinyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol is sourced from PubChem (CID 167019441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).