1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol

C14H16F2N2O2 — CID 115780549

IUPAC1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CC(O)c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C14H16F2N2O2/c1-2-18-9-10(8-17-18)6-13(19)11-4-3-5-12(7-11)20-14(15)16/h3-5,7-9,13-14,19H,2,6H2,1H3
InChIKeyHMIALVMFBOUEJR-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.78
Rot. Bonds6

About 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol

1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol (PubChem CID 115780549) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
PubChem CID115780549
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CC(O)c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C14H16F2N2O2/c1-2-18-9-10(8-17-18)6-13(19)11-4-3-5-12(7-11)20-14(15)16/h3-5,7-9,13-14,19H,2,6H2,1H3
InChIKeyHMIALVMFBOUEJR-UHFFFAOYSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822923
[1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291323
1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol
CID 115780318
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol
CID 66460527
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107105009
2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111117940
4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290632
1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63894409
2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol
CID 116802474

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol (CID 115780549) is 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol is CCn1cc(CC(O)c2cccc(OC(F)F)c2)cn1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol?
The InChIKey is HMIALVMFBOUEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-2-18-9-10(8-17-18)6-13(19)11-4-3-5-12(7-11)20-14(15)16/h3-5,7-9,13-14,19H,2,6H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol?
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol has a molecular weight of 282.29 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115780549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).