1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol

C12H12ClFN2O — CID 114643064

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
SMILESCn1ncc(Cl)c1C(O)Cc1cccc(F)c1
InChIInChI=1S/C12H12ClFN2O/c1-16-12(10(13)7-15-16)11(17)6-8-3-2-4-9(14)5-8/h2-5,7,11,17H,6H2,1H3
InChIKeyITBOGLWWTPRWLL-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.49
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol

1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol (PubChem CID 114643064) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
PubChem CID114643064
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
SMILESCn1ncc(Cl)c1C(O)Cc1cccc(F)c1
InChIInChI=1S/C12H12ClFN2O/c1-16-12(10(13)7-15-16)11(17)6-8-3-2-4-9(14)5-8/h2-5,7,11,17H,6H2,1H3
InChIKeyITBOGLWWTPRWLL-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol
CID 114643059
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
CID 114643322
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine
CID 114648271
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648285
1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol
CID 115484522
(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol
CID 114635377
1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 114644158
1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol
CID 107477080
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-methylphenyl)ethanol
CID 114643232
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 114656071
(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 115836734
1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 114644162

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol (CID 114643064) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol is Cn1ncc(Cl)c1C(O)Cc1cccc(F)c1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol?
The InChIKey is ITBOGLWWTPRWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-16-12(10(13)7-15-16)11(17)6-8-3-2-4-9(14)5-8/h2-5,7,11,17H,6H2,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol?
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol has a molecular weight of 254.69 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 114643064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).