[5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol

C13H12F4N2O2 — CID 114645117

IUPAC[5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
SMILESCOc1cnn(C)c1C(O)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C13H12F4N2O2/c1-19-11(10(21-2)6-18-19)12(20)8-5-7(14)3-4-9(8)13(15,16)17/h3-6,12,20H,1-2H3
InChIKeyQLUIQCUNTCDHFU-UHFFFAOYSA-N
MW304.24 g/mol
LogP2.67
Rot. Bonds3

About [5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol

[5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol (PubChem CID 114645117) has the molecular formula C13H12F4N2O2 and a molecular weight of 304.24 g/mol. Its IUPAC name is [5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name[5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
PubChem CID114645117
Molecular FormulaC13H12F4N2O2
Molecular Weight304.24 g/mol
Exact Mass304.08
IUPAC Name[5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
SMILESCOc1cnn(C)c1C(O)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C13H12F4N2O2/c1-19-11(10(21-2)6-18-19)12(20)8-5-7(14)3-4-9(8)13(15,16)17/h3-6,12,20H,1-2H3
InChIKeyQLUIQCUNTCDHFU-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644854
[4-bromo-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114643398
(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634561
(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634621
(2-methoxy-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 115836879
N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114651637
(4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 114635097
(5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554138
(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol
CID 115836806
[4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634220
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393
(4-methoxy-1-methylpyrazol-5-yl)-thiophen-2-ylmethanol
CID 114634516

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The IUPAC name of [5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol (CID 114645117) is [5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for [5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for [5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol is COc1cnn(C)c1C(O)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of [5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The InChIKey is QLUIQCUNTCDHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O2/c1-19-11(10(21-2)6-18-19)12(20)8-5-7(14)3-4-9(8)13(15,16)17/h3-6,12,20H,1-2H3.
What are the key properties of [5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol?
[5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol has a molecular weight of 304.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 114645117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).