1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine

C7H7ClF3N3O — CID 3722932

IUPAC1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine
SMILESCON=Cc1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C7H7ClF3N3O/c1-14-6(8)4(3-12-15-2)5(13-14)7(9,10)11/h3H,1-2H3
InChIKeyQVYDKFZBKXOIFV-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.07
Rot. Bonds2

About 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine

1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine (PubChem CID 3722932) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine.

Molecular Properties

Compound Name1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine
PubChem CID3722932
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine
SMILESCON=Cc1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C7H7ClF3N3O/c1-14-6(8)4(3-12-15-2)5(13-14)7(9,10)11/h3H,1-2H3
InChIKeyQVYDKFZBKXOIFV-UHFFFAOYSA-N
XLogP2.07
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine?
The IUPAC name of 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine (CID 3722932) is 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine.
What is the SMILES notation for 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine?
The canonical SMILES for 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine is CON=Cc1c(C(F)(F)F)nn(C)c1Cl.
What is the InChIKey of 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine?
The InChIKey is QVYDKFZBKXOIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c1-14-6(8)4(3-12-15-2)5(13-14)7(9,10)11/h3H,1-2H3.
What are the key properties of 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine?
1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine has a molecular weight of 241.60 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine is sourced from PubChem (CID 3722932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).