[4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol

C12H11F3N2O2 — CID 116793015

IUPAC[4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol
SMILESCn1cc(Oc2ccc(CO)cc2C(F)(F)F)cn1
InChIInChI=1S/C12H11F3N2O2/c1-17-6-9(5-16-17)19-11-3-2-8(7-18)4-10(11)12(13,14)15/h2-6,18H,7H2,1H3
InChIKeyZMDPOWGAXYRRLB-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.72
Rot. Bonds3

About [4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol

[4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol (PubChem CID 116793015) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol
PubChem CID116793015
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name[4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol
SMILESCn1cc(Oc2ccc(CO)cc2C(F)(F)F)cn1
InChIInChI=1S/C12H11F3N2O2/c1-17-6-9(5-16-17)19-11-3-2-8(7-18)4-10(11)12(13,14)15/h2-6,18H,7H2,1H3
InChIKeyZMDPOWGAXYRRLB-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrazole
CID 3791399
cyclohexyl-[4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol
CID 45165742
2-Pyrazol-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 20188204
1-[2-(2-Ethyl-5-fluorophenoxy)ethyl]pyrazole
CID 89652862
1-[2-(5-Fluoro-2-methylphenoxy)ethyl]pyrazole
CID 89662785
4-[(3,5-Difluoro-4-methylphenoxy)methyl]-1-methylpyrazole
CID 90368719
[3,5-Difluoro-4-(1-methylpyrazol-4-yl)oxyphenyl]methanol
CID 113564587
[4-(1-Ethylpyrazol-4-yl)oxy-3,5-difluorophenyl]methanol
CID 113565889
[3-Fluoro-4-(1-methylpyrazol-4-yl)oxyphenyl]methanol
CID 116793013
[3,5-Difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol
CID 116801968
[3,5-Difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol
CID 116802003
[3,5-Difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol
CID 118686178

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol (CID 116793015) is [4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol is Cn1cc(Oc2ccc(CO)cc2C(F)(F)F)cn1.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZMDPOWGAXYRRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-17-6-9(5-16-17)19-11-3-2-8(7-18)4-10(11)12(13,14)15/h2-6,18H,7H2,1H3.
What are the key properties of [4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol?
[4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 272.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 116793015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).