1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol

C14H15ClF2N2O — CID 115816497

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H15ClF2N2O/c1-3-19-9(4-8(2)18-19)5-14(20)10-6-13(17)11(15)7-12(10)16/h4,6-7,14,20H,3,5H2,1-2H3
InChIKeyWGWVBGGWECNQFE-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.42
Rot. Bonds4

About 1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol

1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol (PubChem CID 115816497) has the molecular formula C14H15ClF2N2O and a molecular weight of 300.74 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
PubChem CID115816497
Molecular FormulaC14H15ClF2N2O
Molecular Weight300.74 g/mol
Exact Mass300.08
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H15ClF2N2O/c1-3-19-9(4-8(2)18-19)5-14(20)10-6-13(17)11(15)7-12(10)16/h4,6-7,14,20H,3,5H2,1-2H3
InChIKeyWGWVBGGWECNQFE-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813604
1-(2-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816454
1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816458
1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816374
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylfuran-3-yl)ethanol
CID 104789623
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105109618
1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
1-(4-chloro-2,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780481
1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
CID 115816380
1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
CID 115828495
1-(2-ethyl-5-methylpyrazol-3-yl)hexane-2,3-diol
CID 103454836
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554068

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol (CID 115816497) is 1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol is CCn1nc(C)cc1CC(O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The InChIKey is WGWVBGGWECNQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2O/c1-3-19-9(4-8(2)18-19)5-14(20)10-6-13(17)11(15)7-12(10)16/h4,6-7,14,20H,3,5H2,1-2H3.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol has a molecular weight of 300.74 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 115816497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).