(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol

C14H10F6N4O2 — CID 40600389

About (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol

(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 40600389) has the molecular formula C14H10F6N4O2 and a molecular weight of 380.25 g/mol. Its IUPAC name is (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

• Compound Name: (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
• PubChem CID: 40600389
• Molecular Formula: C14H10F6N4O2
• Molecular Weight: 380.25 g/mol
• Exact Mass: 380.07
• IUPAC Name: (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
• SMILES: CC1=NN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)[C@](O)(C(F)(F)F)C1
• InChI: InChI=1S/C14H10F6N4O2/c1-7-6-12(25,14(18,19)20)24(23-7)11-21-8(9-3-2-4-26-9)5-10(22-11)13(15,16)17/h2-5,25H,6H2,1H3/t12-/m1/s1
• InChIKey: DANMUFRXLAMPGM-GFCCVEGCSA-N
• XLogP: 3.59
• TPSA: 74.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.25
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?

The IUPAC name of (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 40600389) is (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol.

What is the SMILES notation for (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?

The canonical SMILES for (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol is CC1=NN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)[C@](O)(C(F)(F)F)C1.

What is the InChIKey of (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?

The InChIKey is DANMUFRXLAMPGM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H10F6N4O2/c1-7-6-12(25,14(18,19)20)24(23-7)11-21-8(9-3-2-4-26-9)5-10(22-11)13(15,16)17/h2-5,25H,6H2,1H3/t12-/m1/s1.

What are the key properties of (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?

(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 380.25 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 40600389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).