1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol

C14H15ClF2N2O2 — CID 114637006

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol
SMILESCOCCn1ncc(Cl)c1C(C)(O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H15ClF2N2O2/c1-14(20,9-5-10(16)7-11(17)6-9)13-12(15)8-18-19(13)3-4-21-2/h5-8,20H,3-4H2,1-2H3
InChIKeyOKDSBNCTWCCEEG-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.72
Rot. Bonds5

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol (PubChem CID 114637006) has the molecular formula C14H15ClF2N2O2 and a molecular weight of 316.74 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol
PubChem CID114637006
Molecular FormulaC14H15ClF2N2O2
Molecular Weight316.74 g/mol
Exact Mass316.08
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol
SMILESCOCCn1ncc(Cl)c1C(C)(O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H15ClF2N2O2/c1-14(20,9-5-10(16)7-11(17)6-9)13-12(15)8-18-19(13)3-4-21-2/h5-8,20H,3-4H2,1-2H3
InChIKeyOKDSBNCTWCCEEG-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,4-dimethylphenyl)ethanol
CID 114633788
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol
CID 114633436
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methylphenyl)ethanol
CID 114633352
1-amino-2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3-dimethylbutan-2-ol
CID 114637806
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(1-methylcyclopropyl)ethanol
CID 114637042
1-(tert-butylamino)-2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]propan-2-ol
CID 114666096
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]hex-5-en-2-ol
CID 114638272
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-(propylamino)butan-2-ol
CID 114665955
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-methylphenyl)ethanol
CID 114633334
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 114637015
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633383

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol (CID 114637006) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol is COCCn1ncc(Cl)c1C(C)(O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol?
The InChIKey is OKDSBNCTWCCEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2O2/c1-14(20,9-5-10(16)7-11(17)6-9)13-12(15)8-18-19(13)3-4-21-2/h5-8,20H,3-4H2,1-2H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol has a molecular weight of 316.74 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol is sourced from PubChem (CID 114637006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).