[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol

C15H16F3N3O — CID 5140809

IUPAC[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESCc1ccc(C2CC(C(F)(F)F)n3nc(CO)cc3N2)cc1
InChIInChI=1S/C15H16F3N3O/c1-9-2-4-10(5-3-9)12-7-13(15(16,17)18)21-14(19-12)6-11(8-22)20-21/h2-6,12-13,19,22H,7-8H2,1H3
InChIKeyCTZLBOOHUAZJSM-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.34
Rot. Bonds2

About [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol

[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol (PubChem CID 5140809) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol
PubChem CID5140809
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESCc1ccc(C2CC(C(F)(F)F)n3nc(CO)cc3N2)cc1
InChIInChI=1S/C15H16F3N3O/c1-9-2-4-10(5-3-9)12-7-13(15(16,17)18)21-14(19-12)6-11(8-22)20-21/h2-6,12-13,19,22H,7-8H2,1H3
InChIKeyCTZLBOOHUAZJSM-UHFFFAOYSA-N
XLogP3.34
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol?
The IUPAC name of [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol (CID 5140809) is [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol.
What is the SMILES notation for [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol?
The canonical SMILES for [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol is Cc1ccc(C2CC(C(F)(F)F)n3nc(CO)cc3N2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol?
The InChIKey is CTZLBOOHUAZJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-9-2-4-10(5-3-9)12-7-13(15(16,17)18)21-14(19-12)6-11(8-22)20-21/h2-6,12-13,19,22H,7-8H2,1H3.
What are the key properties of [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol?
[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol has a molecular weight of 311.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol is sourced from PubChem (CID 5140809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).