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

C10H13F3N2O — CID 134398797

IUPAC1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
SMILESCn1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H13F3N2O/c1-15-6-2-8(14-15)16-7-5-9(3-4-9)10(11,12)13/h2,6H,3-5,7H2,1H3
InChIKeyZWECEDMBTPSWPZ-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.53
Rot. Bonds4

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

1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole (PubChem CID 134398797) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole.

Molecular Properties

Compound Name1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
PubChem CID134398797
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
SMILESCn1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H13F3N2O/c1-15-6-2-8(14-15)16-7-5-9(3-4-9)10(11,12)13/h2,6H,3-5,7H2,1H3
InChIKeyZWECEDMBTPSWPZ-UHFFFAOYSA-N
XLogP2.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The IUPAC name of 1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole (CID 134398797) is 1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole.
What is the SMILES notation for 1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The canonical SMILES for 1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole is Cn1ccc(OCCC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The InChIKey is ZWECEDMBTPSWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-15-6-2-8(14-15)16-7-5-9(3-4-9)10(11,12)13/h2,6H,3-5,7H2,1H3.
What are the key properties of 1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole has a molecular weight of 234.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole is sourced from PubChem (CID 134398797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).