[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol

C13H12F4N2O2 — CID 114644854

IUPAC[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
SMILESCOc1cnn(C)c1C(O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H12F4N2O2/c1-19-11(9(21-2)6-18-19)12(20)7-4-3-5-8(10(7)14)13(15,16)17/h3-6,12,20H,1-2H3
InChIKeyOOMDGEPPBIZNNK-UHFFFAOYSA-N
MW304.24 g/mol
LogP2.67
Rot. Bonds3

About [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol

[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol (PubChem CID 114644854) has the molecular formula C13H12F4N2O2 and a molecular weight of 304.24 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
PubChem CID114644854
Molecular FormulaC13H12F4N2O2
Molecular Weight304.24 g/mol
Exact Mass304.08
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
SMILESCOc1cnn(C)c1C(O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H12F4N2O2/c1-19-11(9(21-2)6-18-19)12(20)7-4-3-5-8(10(7)14)13(15,16)17/h3-6,12,20H,1-2H3
InChIKeyOOMDGEPPBIZNNK-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

[5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645117
[4-bromo-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114643398
(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634621
(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634561
2,3-dihydro-1H-indol-7-yl-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114638224
(2-methoxy-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 115836879
(4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 114635097
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
CID 162539234
[4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634220
1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046950
(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol
CID 115836806
(4-methoxy-1-methylpyrazol-5-yl)-thiophen-2-ylmethanol
CID 114634516

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol (CID 114644854) is [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol is COc1cnn(C)c1C(O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The InChIKey is OOMDGEPPBIZNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O2/c1-19-11(9(21-2)6-18-19)12(20)7-4-3-5-8(10(7)14)13(15,16)17/h3-6,12,20H,1-2H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol?
[2-fluoro-3-(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 [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 114644854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).