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

C12H17F3N2O — CID 153351137

IUPAC1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
SMILESCCCn1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H17F3N2O/c1-2-7-17-8-3-10(16-17)18-9-6-11(4-5-11)12(13,14)15/h3,8H,2,4-7,9H2,1H3
InChIKeyDUZMSYIUIGHDLY-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.40
Rot. Bonds6

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

1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole (PubChem CID 153351137) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole.

Molecular Properties

Compound Name1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
PubChem CID153351137
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
SMILESCCCn1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H17F3N2O/c1-2-7-17-8-3-10(16-17)18-9-6-11(4-5-11)12(13,14)15/h3,8H,2,4-7,9H2,1H3
InChIKeyDUZMSYIUIGHDLY-UHFFFAOYSA-N
XLogP3.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The IUPAC name of 1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole (CID 153351137) is 1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole.
What is the SMILES notation for 1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The canonical SMILES for 1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole is CCCn1ccc(OCCC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The InChIKey is DUZMSYIUIGHDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-2-7-17-8-3-10(16-17)18-9-6-11(4-5-11)12(13,14)15/h3,8H,2,4-7,9H2,1H3.
What are the key properties of 1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole has a molecular weight of 262.27 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole is sourced from PubChem (CID 153351137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).