5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole

C10H15F3N2 — CID 155787889

IUPAC5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole
SMILESCn1ncc(CC(F)(F)F)c1C(C)(C)C
InChIInChI=1S/C10H15F3N2/c1-9(2,3)8-7(5-10(11,12)13)6-14-15(8)4/h6H,5H2,1-4H3
InChIKeyNUDDTFZGBPEWRR-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.82
Rot. Bonds1

About 5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole

5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 155787889) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole
PubChem CID155787889
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole
SMILESCn1ncc(CC(F)(F)F)c1C(C)(C)C
InChIInChI=1S/C10H15F3N2/c1-9(2,3)8-7(5-10(11,12)13)6-14-15(8)4/h6H,5H2,1-4H3
InChIKeyNUDDTFZGBPEWRR-UHFFFAOYSA-N
XLogP2.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole (CID 155787889) is 5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole is Cn1ncc(CC(F)(F)F)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is NUDDTFZGBPEWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-9(2,3)8-7(5-10(11,12)13)6-14-15(8)4/h6H,5H2,1-4H3.
What are the key properties of 5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole?
5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 220.24 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 155787889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).