5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole

C7H9F3N2O — CID 174618182

IUPAC5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole
SMILESCc1cc(OCCC(F)(F)F)n[nH]1
InChIInChI=1S/C7H9F3N2O/c1-5-4-6(12-11-5)13-3-2-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyWPOVIDAQABUWER-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.05
Rot. Bonds3

About 5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole

5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole (PubChem CID 174618182) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole
PubChem CID174618182
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole
SMILESCc1cc(OCCC(F)(F)F)n[nH]1
InChIInChI=1S/C7H9F3N2O/c1-5-4-6(12-11-5)13-3-2-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyWPOVIDAQABUWER-UHFFFAOYSA-N
XLogP2.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole?
The IUPAC name of 5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole (CID 174618182) is 5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole?
The canonical SMILES for 5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole is Cc1cc(OCCC(F)(F)F)n[nH]1.
What is the InChIKey of 5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole?
The InChIKey is WPOVIDAQABUWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-5-4-6(12-11-5)13-3-2-7(8,9)10/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole?
5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole has a molecular weight of 194.16 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazole is sourced from PubChem (CID 174618182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).