4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole

C7H9F3N2O — CID 142791590

IUPAC4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole
SMILESCOc1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O/c1-13-6-4-11-12(5-6)3-2-7(8,9)10/h4-5H,2-3H2,1H3
InChIKeyLHVFARAALBJMSZ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.84
Rot. Bonds3

About 4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole

4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole (PubChem CID 142791590) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole.

Molecular Properties

Compound Name4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole
PubChem CID142791590
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole
SMILESCOc1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O/c1-13-6-4-11-12(5-6)3-2-7(8,9)10/h4-5H,2-3H2,1H3
InChIKeyLHVFARAALBJMSZ-UHFFFAOYSA-N
XLogP1.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole?
The IUPAC name of 4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole (CID 142791590) is 4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole.
What is the SMILES notation for 4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole?
The canonical SMILES for 4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole is COc1cnn(CCC(F)(F)F)c1.
What is the InChIKey of 4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole?
The InChIKey is LHVFARAALBJMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-13-6-4-11-12(5-6)3-2-7(8,9)10/h4-5H,2-3H2,1H3.
What are the key properties of 4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole?
4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole has a molecular weight of 194.16 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3,3,3-trifluoropropyl)pyrazole is sourced from PubChem (CID 142791590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).