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

C13H14ClFN2O — CID 103043648

IUPAC2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2ccc(F)c(Cl)c2)n(C)n1
InChIInChI=1S/C13H14ClFN2O/c1-8-5-12(17(2)16-8)13(18)7-9-3-4-11(15)10(14)6-9/h3-6,13,18H,7H2,1-2H3
InChIKeyFCTWLLOUORNFOZ-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.80
Rot. Bonds3

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

2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol (PubChem CID 103043648) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
PubChem CID103043648
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2ccc(F)c(Cl)c2)n(C)n1
InChIInChI=1S/C13H14ClFN2O/c1-8-5-12(17(2)16-8)13(18)7-9-3-4-11(15)10(14)6-9/h3-6,13,18H,7H2,1-2H3
InChIKeyFCTWLLOUORNFOZ-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 105077036
2-(3-chloro-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 103039152
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105086618
2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105087991
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105539
2-(4-chloro-3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 107894529
2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
2-(3-chloro-4-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 103043689
2-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105088082
2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 105136476
3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598009
1-(3-chloro-4-fluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103043410

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol (CID 103043648) is 2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol is Cc1cc(C(O)Cc2ccc(F)c(Cl)c2)n(C)n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The InChIKey is FCTWLLOUORNFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-8-5-12(17(2)16-8)13(18)7-9-3-4-11(15)10(14)6-9/h3-6,13,18H,7H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol has a molecular weight of 268.72 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 103043648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).