1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole

C10H15F3N2 — CID 90162112

IUPAC1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)n(C(C)C)n1
InChIInChI=1S/C10H15F3N2/c1-6(2)8-5-9(10(11,12)13)15(14-8)7(3)4/h5-7H,1-4H3
InChIKeyVAVIMFLYRLYHCW-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.61
Rot. Bonds2

About 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole

1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole (PubChem CID 90162112) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole
PubChem CID90162112
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)n(C(C)C)n1
InChIInChI=1S/C10H15F3N2/c1-6(2)8-5-9(10(11,12)13)15(14-8)7(3)4/h5-7H,1-4H3
InChIKeyVAVIMFLYRLYHCW-UHFFFAOYSA-N
XLogP3.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole (CID 90162112) is 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole is CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.
What is the InChIKey of 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole?
The InChIKey is VAVIMFLYRLYHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-6(2)8-5-9(10(11,12)13)15(14-8)7(3)4/h5-7H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole?
1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole has a molecular weight of 220.24 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90162112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).