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

C10H9F3N4O2 — CID 122455960

IUPAC[3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol
SMILESCOc1nn(-c2cnc(C(F)(F)F)nc2)cc1CO
InChIInChI=1S/C10H9F3N4O2/c1-19-8-6(5-18)4-17(16-8)7-2-14-9(15-3-7)10(11,12)13/h2-4,18H,5H2,1H3
InChIKeyKMBQMXLKLCAILV-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.18
Rot. Bonds3

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

[3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol (PubChem CID 122455960) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is [3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol
PubChem CID122455960
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Name[3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol
SMILESCOc1nn(-c2cnc(C(F)(F)F)nc2)cc1CO
InChIInChI=1S/C10H9F3N4O2/c1-19-8-6(5-18)4-17(16-8)7-2-14-9(15-3-7)10(11,12)13/h2-4,18H,5H2,1H3
InChIKeyKMBQMXLKLCAILV-UHFFFAOYSA-N
XLogP1.18
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol?
The IUPAC name of [3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol (CID 122455960) is [3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol?
The canonical SMILES for [3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol is COc1nn(-c2cnc(C(F)(F)F)nc2)cc1CO.
What is the InChIKey of [3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol?
The InChIKey is KMBQMXLKLCAILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c1-19-8-6(5-18)4-17(16-8)7-2-14-9(15-3-7)10(11,12)13/h2-4,18H,5H2,1H3.
What are the key properties of [3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol?
[3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol has a molecular weight of 274.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol is sourced from PubChem (CID 122455960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).