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

C11H15F3N2O — CID 139428411

IUPAC1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
SMILESCCn1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H15F3N2O/c1-2-16-7-3-9(15-16)17-8-6-10(4-5-10)11(12,13)14/h3,7H,2,4-6,8H2,1H3
InChIKeyFCSNMKHAOUBKRV-UHFFFAOYSA-N
MW248.25 g/mol
LogP3.01
Rot. Bonds5

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

1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole (PubChem CID 139428411) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole.

Molecular Properties

Compound Name1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
PubChem CID139428411
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
SMILESCCn1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H15F3N2O/c1-2-16-7-3-9(15-16)17-8-6-10(4-5-10)11(12,13)14/h3,7H,2,4-6,8H2,1H3
InChIKeyFCSNMKHAOUBKRV-UHFFFAOYSA-N
XLogP3.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The IUPAC name of 1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole (CID 139428411) is 1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole.
What is the SMILES notation for 1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The canonical SMILES for 1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole is CCn1ccc(OCCC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The InChIKey is FCSNMKHAOUBKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-2-16-7-3-9(15-16)17-8-6-10(4-5-10)11(12,13)14/h3,7H,2,4-6,8H2,1H3.
What are the key properties of 1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole has a molecular weight of 248.25 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole is sourced from PubChem (CID 139428411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).