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

C14H15ClF2N2O — CID 115813604

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2cc(F)c(Cl)cc2F)n(C)n1
InChIInChI=1S/C14H15ClF2N2O/c1-3-8-4-9(19(2)18-8)5-14(20)10-6-13(17)11(15)7-12(10)16/h4,6-7,14,20H,3,5H2,1-2H3
InChIKeyVGJYARFBWYDQRH-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.19
Rot. Bonds4

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

1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol (PubChem CID 115813604) 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-(3-ethyl-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
PubChem CID115813604
Molecular FormulaC14H15ClF2N2O
Molecular Weight300.74 g/mol
Exact Mass300.08
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2cc(F)c(Cl)cc2F)n(C)n1
InChIInChI=1S/C14H15ClF2N2O/c1-3-8-4-9(19(2)18-8)5-14(20)10-6-13(17)11(15)7-12(10)16/h4,6-7,14,20H,3,5H2,1-2H3
InChIKeyVGJYARFBWYDQRH-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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-(2,5-dichlorothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107969731
1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816497
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 83091915
1-(4-chloro-2,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780481
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105107575
1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695553
1-(4-chloro-2,5-difluorophenyl)-3-ethylpentan-1-ol
CID 115829819
[1-(2-chlorofuran-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 106694523
1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
CID 107719825
1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
CID 115828495
2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 79434391

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol (CID 115813604) is 1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol is CCc1cc(CC(O)c2cc(F)c(Cl)cc2F)n(C)n1.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The InChIKey is VGJYARFBWYDQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2O/c1-3-8-4-9(19(2)18-8)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-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol has a molecular weight of 300.74 g/mol, XLogP of 3.19, 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-(3-ethyl-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 115813604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).