5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole

C8H9F3N2 — CID 125456183

IUPAC5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cn[nH]c1C1CCC1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)6-4-12-13-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,12,13)
InChIKeyGEPNKCRZMLAICD-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.70
Rot. Bonds1

About 5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole

5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 125456183) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole
PubChem CID125456183
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cn[nH]c1C1CCC1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)6-4-12-13-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,12,13)
InChIKeyGEPNKCRZMLAICD-UHFFFAOYSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-5-cyclobutyl-1H-pyrazole
CID 119055024
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5-cycloundecyl-4-methyl-1H-pyrazole
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1-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylmethanamine
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5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole
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2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 105438351
4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine
CID 115039341
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole
CID 173177183
(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 95839881
4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole
CID 115018789
5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine
CID 118010413
2-cyclopentyl-5-(trifluoromethyl)-1H-imidazole
CID 71204532

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole (CID 125456183) is 5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cn[nH]c1C1CCC1.
What is the InChIKey of 5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is GEPNKCRZMLAICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)6-4-12-13-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,12,13).
What are the key properties of 5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole?
5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 190.17 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 125456183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).