1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole

C10H15F3N2 — CID 14175133

IUPAC1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole
SMILESCCc1nn(C(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-5-8-7(10(11,12)13)6-15(14-8)9(2,3)4/h6H,5H2,1-4H3
InChIKeyLEIDPNUNFPINLA-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.22
Rot. Bonds1

About 1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole

1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole (PubChem CID 14175133) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole
PubChem CID14175133
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole
SMILESCCc1nn(C(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-5-8-7(10(11,12)13)6-15(14-8)9(2,3)4/h6H,5H2,1-4H3
InChIKeyLEIDPNUNFPINLA-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-t-butylpyrazole
CID 145633
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
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CID 66509540
3-Cyclopropyl-4-ethynyl-1-methyl-1H-pyrazole
CID 66509541
4-iodo-1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 75355957
3-ethyl-1-methyl-1H-pyrazole-4-carbonitrile
CID 82651107
5-(1,1-difluoroethyl)-1-methyl-1H-pyrazole
CID 89891309
1-(Trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 91573377
[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 39869194
2-(1,4-dimethyl-1H-pyrazol-3-yl)ethan-1-amine
CID 82594064
3-ethyl-4-ethynyl-1-methyl-1H-pyrazole
CID 104276778
1-tert-butyl-3-cyclopropyl-4-iodo-1H-pyrazole
CID 155970590

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole (CID 14175133) is 1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole is CCc1nn(C(C)(C)C)cc1C(F)(F)F.
What is the InChIKey of 1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole?
The InChIKey is LEIDPNUNFPINLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-5-8-7(10(11,12)13)6-15(14-8)9(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole?
1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole has a molecular weight of 220.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 14175133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).