3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole

C10H13F3N2O — CID 167272566

IUPAC3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)n(C2CCOCC2)n1
InChIInChI=1S/C10H13F3N2O/c1-7-6-9(10(11,12)13)15(14-7)8-2-4-16-5-3-8/h6,8H,2-5H2,1H3
InChIKeyNIXZBMIYHCIQQV-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.56
Rot. Bonds1

About 3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole

3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole (PubChem CID 167272566) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole
PubChem CID167272566
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)n(C2CCOCC2)n1
InChIInChI=1S/C10H13F3N2O/c1-7-6-9(10(11,12)13)15(14-7)8-2-4-16-5-3-8/h6,8H,2-5H2,1H3
InChIKeyNIXZBMIYHCIQQV-UHFFFAOYSA-N
XLogP2.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole (CID 167272566) is 3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)n(C2CCOCC2)n1.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole?
The InChIKey is NIXZBMIYHCIQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7-6-9(10(11,12)13)15(14-7)8-2-4-16-5-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole?
3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole has a molecular weight of 234.22 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 167272566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).