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

C14H16F2N2O2 — CID 115837028

IUPAC2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
SMILESCCn1ncc(OC)c1C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O2/c1-3-18-14(13(20-2)8-17-18)12(19)7-9-4-5-10(15)11(16)6-9/h4-6,8,12,19H,3,7H2,1-2H3
InChIKeyXBYBKZRYKDAJBG-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.47
Rot. Bonds5

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

2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol (PubChem CID 115837028) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
PubChem CID115837028
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
SMILESCCn1ncc(OC)c1C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O2/c1-3-18-14(13(20-2)8-17-18)12(19)7-9-4-5-10(15)11(16)6-9/h4-6,8,12,19H,3,7H2,1-2H3
InChIKeyXBYBKZRYKDAJBG-UHFFFAOYSA-N
XLogP2.47
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105339497
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-methoxyphenyl)ethanol
CID 114643108
2-(3,5-dimethylphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114643392
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methylphenyl)ethanol
CID 114643227
(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634963
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-ol
CID 114635552
2-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114644642
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130141
3-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114645183

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol (CID 115837028) is 2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol is CCn1ncc(OC)c1C(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol?
The InChIKey is XBYBKZRYKDAJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-3-18-14(13(20-2)8-17-18)12(19)7-9-4-5-10(15)11(16)6-9/h4-6,8,12,19H,3,7H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol?
2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol has a molecular weight of 282.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol is sourced from PubChem (CID 115837028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).