5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole

C9H11F3N2O — CID 139416468

IUPAC5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
SMILESFC(F)(F)C1CC1CCOc1ccn[nH]1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-5-6(7)2-4-15-8-1-3-13-14-8/h1,3,6-7H,2,4-5H2,(H,13,14)
InChIKeyJZEGCQQOAGXUHF-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.38
Rot. Bonds4

About 5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole

5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole (PubChem CID 139416468) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
PubChem CID139416468
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
SMILESFC(F)(F)C1CC1CCOc1ccn[nH]1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-5-6(7)2-4-15-8-1-3-13-14-8/h1,3,6-7H,2,4-5H2,(H,13,14)
InChIKeyJZEGCQQOAGXUHF-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
The IUPAC name of 5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole (CID 139416468) is 5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole.
What is the SMILES notation for 5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
The canonical SMILES for 5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole is FC(F)(F)C1CC1CCOc1ccn[nH]1.
What is the InChIKey of 5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
The InChIKey is JZEGCQQOAGXUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)7-5-6(7)2-4-15-8-1-3-13-14-8/h1,3,6-7H,2,4-5H2,(H,13,14).
What are the key properties of 5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole has a molecular weight of 220.19 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole is sourced from PubChem (CID 139416468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).