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

C11H15F3N2O — CID 134393470

IUPAC4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
SMILESCCc1cn[nH]c1OCCC1(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O/c1-2-8-7-15-16-9(8)17-6-5-10(3-4-10)11(12,13)14/h7H,2-6H2,1H3,(H,15,16)
InChIKeyKHIOOPKTBIVDCA-UHFFFAOYSA-N
MW248.25 g/mol
LogP3.08
Rot. Bonds5

About 4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole

4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole (PubChem CID 134393470) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
PubChem CID134393470
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
SMILESCCc1cn[nH]c1OCCC1(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O/c1-2-8-7-15-16-9(8)17-6-5-10(3-4-10)11(12,13)14/h7H,2-6H2,1H3,(H,15,16)
InChIKeyKHIOOPKTBIVDCA-UHFFFAOYSA-N
XLogP3.08
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
The IUPAC name of 4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole (CID 134393470) is 4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole.
What is the SMILES notation for 4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
The canonical SMILES for 4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole is CCc1cn[nH]c1OCCC1(C(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
The InChIKey is KHIOOPKTBIVDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-2-8-7-15-16-9(8)17-6-5-10(3-4-10)11(12,13)14/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole has a molecular weight of 248.25 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole is sourced from PubChem (CID 134393470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).