2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol

C10H13F3N2O2 — CID 134399523

IUPAC2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol
SMILESCn1ccc(OCC(O)C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H13F3N2O2/c1-15-5-2-8(14-15)17-6-7(16)9(3-4-9)10(11,12)13/h2,5,7,16H,3-4,6H2,1H3
InChIKeyBIISEJRFMUFOKJ-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.50
Rot. Bonds4

About 2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol

2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol (PubChem CID 134399523) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol
PubChem CID134399523
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol
SMILESCn1ccc(OCC(O)C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H13F3N2O2/c1-15-5-2-8(14-15)17-6-7(16)9(3-4-9)10(11,12)13/h2,5,7,16H,3-4,6H2,1H3
InChIKeyBIISEJRFMUFOKJ-UHFFFAOYSA-N
XLogP1.50
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol?
The IUPAC name of 2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol (CID 134399523) is 2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol is Cn1ccc(OCC(O)C2(C(F)(F)F)CC2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol?
The InChIKey is BIISEJRFMUFOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-15-5-2-8(14-15)17-6-7(16)9(3-4-9)10(11,12)13/h2,5,7,16H,3-4,6H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol?
2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol has a molecular weight of 250.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol is sourced from PubChem (CID 134399523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).