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

C12H12ClFN2O — CID 63960769

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C12H12ClFN2O/c1-16-11(4-5-15-16)12(17)6-8-2-3-9(14)7-10(8)13/h2-5,7,12,17H,6H2,1H3
InChIKeyAVOIPIZCKQHUII-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.49
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 63960769) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID63960769
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C12H12ClFN2O/c1-16-11(4-5-15-16)12(17)6-8-2-3-9(14)7-10(8)13/h2-5,7,12,17H,6H2,1H3
InChIKeyAVOIPIZCKQHUII-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

2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 105086935
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554076
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105188357
[2-(2,4-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105200066
1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962440
[(2-chloro-4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105215276
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 62607022
[2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105216120
1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol (CID 63960769) is 2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol is Cn1nccc1C(O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is AVOIPIZCKQHUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-16-11(4-5-15-16)12(17)6-8-2-3-9(14)7-10(8)13/h2-5,7,12,17H,6H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)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 2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 63960769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).