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

C12H17F3N2O — CID 139573857

IUPAC1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
SMILESCC(C)n1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H17F3N2O/c1-9(2)17-7-3-10(16-17)18-8-6-11(4-5-11)12(13,14)15/h3,7,9H,4-6,8H2,1-2H3
InChIKeyBMIRNPLOJUACLV-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.58
Rot. Bonds5

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

1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole (PubChem CID 139573857) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
PubChem CID139573857
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
SMILESCC(C)n1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H17F3N2O/c1-9(2)17-7-3-10(16-17)18-8-6-11(4-5-11)12(13,14)15/h3,7,9H,4-6,8H2,1-2H3
InChIKeyBMIRNPLOJUACLV-UHFFFAOYSA-N
XLogP3.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The IUPAC name of 1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole (CID 139573857) is 1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole.
What is the SMILES notation for 1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The canonical SMILES for 1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole is CC(C)n1ccc(OCCC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The InChIKey is BMIRNPLOJUACLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-9(2)17-7-3-10(16-17)18-8-6-11(4-5-11)12(13,14)15/h3,7,9H,4-6,8H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole has a molecular weight of 262.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole is sourced from PubChem (CID 139573857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).