5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole

C10H13F3N2O — CID 71273838

IUPAC5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1C1CCCCO1
InChIInChI=1S/C10H13F3N2O/c1-7-6-8(10(11,12)13)14-15(7)9-4-2-3-5-16-9/h6,9H,2-5H2,1H3
InChIKeyXSKAZVYKXLSASG-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.91
Rot. Bonds1

About 5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole

5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 71273838) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID71273838
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1C1CCCCO1
InChIInChI=1S/C10H13F3N2O/c1-7-6-8(10(11,12)13)14-15(7)9-4-2-3-5-16-9/h6,9H,2-5H2,1H3
InChIKeyXSKAZVYKXLSASG-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole (CID 71273838) is 5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)nn1C1CCCCO1.
What is the InChIKey of 5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is XSKAZVYKXLSASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7-6-8(10(11,12)13)14-15(7)9-4-2-3-5-16-9/h6,9H,2-5H2,1H3.
What are the key properties of 5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole?
5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 234.22 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 71273838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).