[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

C10H9F3N4O — CID 114204984

IUPAC[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESCn1ccc(-c2ncc(CO)c(C(F)(F)F)n2)n1
InChIInChI=1S/C10H9F3N4O/c1-17-3-2-7(16-17)9-14-4-6(5-18)8(15-9)10(11,12)13/h2-4,18H,5H2,1H3
InChIKeyUUFZKCKNUBFNQL-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.39
Rot. Bonds2

About [2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 114204984) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is [2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID114204984
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESCn1ccc(-c2ncc(CO)c(C(F)(F)F)n2)n1
InChIInChI=1S/C10H9F3N4O/c1-17-3-2-7(16-17)9-14-4-6(5-18)8(15-9)10(11,12)13/h2-4,18H,5H2,1H3
InChIKeyUUFZKCKNUBFNQL-UHFFFAOYSA-N
XLogP1.39
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 114204984) is [2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is Cn1ccc(-c2ncc(CO)c(C(F)(F)F)n2)n1.
What is the InChIKey of [2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is UUFZKCKNUBFNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-17-3-2-7(16-17)9-14-4-6(5-18)8(15-9)10(11,12)13/h2-4,18H,5H2,1H3.
What are the key properties of [2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 258.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114204984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).