5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile

C7H6F3N3O — CID 2775266

IUPAC5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESCOc1c(C#N)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H6F3N3O/c1-13-6(14-2)4(3-11)5(12-13)7(8,9)10/h1-2H3
InChIKeyFGQVEXCRWSHQDT-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.32
Rot. Bonds1

About 5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile

5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 2775266) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
PubChem CID2775266
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESCOc1c(C#N)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H6F3N3O/c1-13-6(14-2)4(3-11)5(12-13)7(8,9)10/h1-2H3
InChIKeyFGQVEXCRWSHQDT-UHFFFAOYSA-N
XLogP1.32
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile (CID 2775266) is 5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile is COc1c(C#N)c(C(F)(F)F)nn1C.
What is the InChIKey of 5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is FGQVEXCRWSHQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c1-13-6(14-2)4(3-11)5(12-13)7(8,9)10/h1-2H3.
What are the key properties of 5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 205.14 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 2775266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).