4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole

C9H11F3N2O — CID 139389158

IUPAC4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
SMILESFC(F)(F)C1(CCOc2cn[nH]c2)CC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8(1-2-8)3-4-15-7-5-13-14-6-7/h5-6H,1-4H2,(H,13,14)
InChIKeySSJMANXLIJZGFX-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.52
Rot. Bonds4

About 4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole

4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole (PubChem CID 139389158) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole.

Molecular Properties

Compound Name4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
PubChem CID139389158
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
SMILESFC(F)(F)C1(CCOc2cn[nH]c2)CC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8(1-2-8)3-4-15-7-5-13-14-6-7/h5-6H,1-4H2,(H,13,14)
InChIKeySSJMANXLIJZGFX-UHFFFAOYSA-N
XLogP2.52
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
The IUPAC name of 4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole (CID 139389158) is 4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole.
What is the SMILES notation for 4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
The canonical SMILES for 4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole is FC(F)(F)C1(CCOc2cn[nH]c2)CC1.
What is the InChIKey of 4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
The InChIKey is SSJMANXLIJZGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)8(1-2-8)3-4-15-7-5-13-14-6-7/h5-6H,1-4H2,(H,13,14).
What are the key properties of 4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole has a molecular weight of 220.19 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole is sourced from PubChem (CID 139389158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).