5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole

C10H15F3N2 — CID 58157933

IUPAC5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)(C)Cc1ccnn1CC(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-9(2,3)6-8-4-5-14-15(8)7-10(11,12)13/h4-5H,6-7H2,1-3H3
InChIKeyVPRXDFYZBXBYRV-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.03
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole

5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 58157933) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID58157933
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)(C)Cc1ccnn1CC(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-9(2,3)6-8-4-5-14-15(8)7-10(11,12)13/h4-5H,6-7H2,1-3H3
InChIKeyVPRXDFYZBXBYRV-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 58157933) is 5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole is CC(C)(C)Cc1ccnn1CC(F)(F)F.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is VPRXDFYZBXBYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-9(2,3)6-8-4-5-14-15(8)7-10(11,12)13/h4-5H,6-7H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole?
5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 220.24 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 58157933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).