2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol

C7H10F2N2O2 — CID 114645393

IUPAC2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
SMILESCOc1cnn(C)c1C(O)C(F)F
InChIInChI=1S/C7H10F2N2O2/c1-11-5(6(12)7(8)9)4(13-2)3-10-11/h3,6-7,12H,1-2H3
InChIKeyZQTSDYDPVIBYTJ-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.73
Rot. Bonds3

About 2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol

2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol (PubChem CID 114645393) has the molecular formula C7H10F2N2O2 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
PubChem CID114645393
Molecular FormulaC7H10F2N2O2
Molecular Weight192.17 g/mol
Exact Mass192.07
IUPAC Name2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
SMILESCOc1cnn(C)c1C(O)C(F)F
InChIInChI=1S/C7H10F2N2O2/c1-11-5(6(12)7(8)9)4(13-2)3-10-11/h3,6-7,12H,1-2H3
InChIKeyZQTSDYDPVIBYTJ-UHFFFAOYSA-N
XLogP0.73
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
[4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634220
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
CID 114643133
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
CID 114665828
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
CID 103449219
ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate
CID 114636536
(4-methoxy-1-methylpyrazol-5-yl)-(1-methylimidazol-4-yl)methanol
CID 107978707
(4-methoxy-1-methylpyrazol-5-yl)-(1-methylcyclopentyl)methanol
CID 115836869
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682
(1-methoxycyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645508
(4-methoxy-1-methylpyrazol-5-yl)-thiophen-2-ylmethanol
CID 114634516

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol (CID 114645393) is 2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol is COc1cnn(C)c1C(O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol?
The InChIKey is ZQTSDYDPVIBYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2/c1-11-5(6(12)7(8)9)4(13-2)3-10-11/h3,6-7,12H,1-2H3.
What are the key properties of 2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol?
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol has a molecular weight of 192.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 114645393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).