5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole

C9H13F3N2 — CID 23236499

IUPAC5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)(C)Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C9H13F3N2/c1-8(2,3)5-6-4-7(14-13-6)9(10,11)12/h4H,5H2,1-3H3,(H,13,14)
InChIKeyFPHCVPUWWSUYHW-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.02
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole

5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 23236499) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole
PubChem CID23236499
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)(C)Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C9H13F3N2/c1-8(2,3)5-6-4-7(14-13-6)9(10,11)12/h4H,5H2,1-3H3,(H,13,14)
InChIKeyFPHCVPUWWSUYHW-UHFFFAOYSA-N
XLogP3.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
CID 139077
5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole
CID 600756
3,5-Di-t-butylpyrazole
CID 136912
5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
CID 7147403
3,5-diethyl-1H-pyrazole
CID 4306367
3,5-Diisopropylpyrazole
CID 5255229
potassium (3-(tert-butyl)-1H-pyrazol-5-yl)trifluoroborate
CID 75175990
5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
CID 7147438
3-(Heptafluoropropyl)-5-methyl-1H-pyrazole
CID 2774945
3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole
CID 2776179
3-(Perfluoropentyl)-5-methylpyrazole
CID 2776343
3(5)-Methyl-5(3)-t-butylpyrazole
CID 145296

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole (CID 23236499) is 5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole is CC(C)(C)Cc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is FPHCVPUWWSUYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-8(2,3)5-6-4-7(14-13-6)9(10,11)12/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of 5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole?
5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 206.21 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 23236499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).