cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol

C10H13F3N2O2 — CID 135347843

IUPACcyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol
SMILESOC(C1CCC1)n1ccc(OCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)6-17-8-4-5-15(14-8)9(16)7-2-1-3-7/h4-5,7,9,16H,1-3,6H2
InChIKeyMCYLYFNAENJYPS-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.12
Rot. Bonds4

About cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol

cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol (PubChem CID 135347843) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol.

Molecular Properties

Compound Namecyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol
PubChem CID135347843
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Namecyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol
SMILESOC(C1CCC1)n1ccc(OCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)6-17-8-4-5-15(14-8)9(16)7-2-1-3-7/h4-5,7,9,16H,1-3,6H2
InChIKeyMCYLYFNAENJYPS-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol?
The IUPAC name of cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol (CID 135347843) is cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol.
What is the SMILES notation for cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol?
The canonical SMILES for cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol is OC(C1CCC1)n1ccc(OCC(F)(F)F)n1.
What is the InChIKey of cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol?
The InChIKey is MCYLYFNAENJYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)6-17-8-4-5-15(14-8)9(16)7-2-1-3-7/h4-5,7,9,16H,1-3,6H2.
What are the key properties of cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol?
cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol has a molecular weight of 250.22 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]methanol is sourced from PubChem (CID 135347843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).