(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol

C12H11F3N2O2 — CID 63963696

IUPAC(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol
SMILESCn1nccc1C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O2/c1-17-10(6-7-16-17)11(18)8-2-4-9(5-3-8)19-12(13,14)15/h2-7,11,18H,1H3
InChIKeyIJQNOLWURJSAGC-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.40
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol

(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol (PubChem CID 63963696) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol
PubChem CID63963696
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol
SMILESCn1nccc1C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O2/c1-17-10(6-7-16-17)11(18)8-2-4-9(5-3-8)19-12(13,14)15/h2-7,11,18H,1H3
InChIKeyIJQNOLWURJSAGC-UHFFFAOYSA-N
XLogP2.40
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63961352
(4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 105098336
(2-methylpyrazol-3-yl)-(4-propoxyphenyl)methanol
CID 63961553
(4-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 11550333
(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63949975
3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103031051
furan-3-yl-(2-methylpyrazol-3-yl)methanol
CID 63960730
(4-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960937
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689
[3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol
CID 115527836
3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 63961178

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol (CID 63963696) is (2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol is Cn1nccc1C(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is IJQNOLWURJSAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-17-10(6-7-16-17)11(18)8-2-4-9(5-3-8)19-12(13,14)15/h2-7,11,18H,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol?
(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 272.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 63963696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).