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

C13H13F3N2O3 — CID 170707268

IUPAC[3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol
SMILESCOc1cc(CO)ccc1-n1nc(C(F)(F)F)cc1OC
InChIInChI=1S/C13H13F3N2O3/c1-20-10-5-8(7-19)3-4-9(10)18-12(21-2)6-11(17-18)13(14,15)16/h3-6,19H,7H2,1-2H3
InChIKeyCJQFQVAJJQVVNQ-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.40
Rot. Bonds4

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

[3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol (PubChem CID 170707268) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is [3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol
PubChem CID170707268
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name[3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol
SMILESCOc1cc(CO)ccc1-n1nc(C(F)(F)F)cc1OC
InChIInChI=1S/C13H13F3N2O3/c1-20-10-5-8(7-19)3-4-9(10)18-12(21-2)6-11(17-18)13(14,15)16/h3-6,19H,7H2,1-2H3
InChIKeyCJQFQVAJJQVVNQ-UHFFFAOYSA-N
XLogP2.40
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol?
The IUPAC name of [3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol (CID 170707268) is [3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol.
What is the SMILES notation for [3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol?
The canonical SMILES for [3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol is COc1cc(CO)ccc1-n1nc(C(F)(F)F)cc1OC.
What is the InChIKey of [3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol?
The InChIKey is CJQFQVAJJQVVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c1-20-10-5-8(7-19)3-4-9(10)18-12(21-2)6-11(17-18)13(14,15)16/h3-6,19H,7H2,1-2H3.
What are the key properties of [3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol?
[3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol has a molecular weight of 302.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol is sourced from PubChem (CID 170707268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).