1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole

C13H19F3N2O — CID 170246855

IUPAC1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
SMILESCCCCn1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H19F3N2O/c1-2-3-8-18-9-4-11(17-18)19-10-7-12(5-6-12)13(14,15)16/h4,9H,2-3,5-8,10H2,1H3
InChIKeyVIZOARYJDARARE-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.79
Rot. Bonds7

About 1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole

1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole (PubChem CID 170246855) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole.

Molecular Properties

Compound Name1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
PubChem CID170246855
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
SMILESCCCCn1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H19F3N2O/c1-2-3-8-18-9-4-11(17-18)19-10-7-12(5-6-12)13(14,15)16/h4,9H,2-3,5-8,10H2,1H3
InChIKeyVIZOARYJDARARE-UHFFFAOYSA-N
XLogP3.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Difluoromethyl)-3-ethoxy-1H-pyrazole
CID 118164917
Tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole-1-carboxylate
CID 134393501
Tert-butyl 3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazole-1-carboxylate
CID 134393585
Tert-butyl 3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazole-1-carboxylate
CID 134393649
Tert-butyl 3-[[1-(trifluoromethyl)cyclobutyl]methoxy]pyrazole-1-carboxylate
CID 134398525
2,5-Dimethylhexan-2-yl 3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole-1-carboxylate
CID 134398718
1-[3-[[1-(Trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone
CID 134398723
1-Methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
CID 134398797
Tert-butyl 3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-1-carboxylate
CID 134398857
(2-Methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol
CID 134398859
1-Methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole
CID 134399432
2-(1-Methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol
CID 134399523

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The IUPAC name of 1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole (CID 170246855) is 1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole.
What is the SMILES notation for 1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The canonical SMILES for 1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole is CCCCn1ccc(OCCC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The InChIKey is VIZOARYJDARARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-2-3-8-18-9-4-11(17-18)19-10-7-12(5-6-12)13(14,15)16/h4,9H,2-3,5-8,10H2,1H3.
What are the key properties of 1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole has a molecular weight of 276.30 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole is sourced from PubChem (CID 170246855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).