(E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine

C8H13N3O — CID 126996007

IUPAC(E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine
SMILESCCO/N=C/c1cnn(C)c1C
InChIInChI=1S/C8H13N3O/c1-4-12-10-6-8-5-9-11(3)7(8)2/h5-6H,4H2,1-3H3/b10-6+
InChIKeyJUKXWZNFDIXHSV-UXBLZVDNSA-N
MW167.21 g/mol
LogP1.10
Rot. Bonds3

About (E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine

(E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine (PubChem CID 126996007) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine.

Molecular Properties

Compound Name(E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine
PubChem CID126996007
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine
SMILESCCO/N=C/c1cnn(C)c1C
InChIInChI=1S/C8H13N3O/c1-4-12-10-6-8-5-9-11(3)7(8)2/h5-6H,4H2,1-3H3/b10-6+
InChIKeyJUKXWZNFDIXHSV-UXBLZVDNSA-N
XLogP1.10
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.10
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 (E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine?
The IUPAC name of (E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine (CID 126996007) is (E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine.
What is the SMILES notation for (E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine?
The canonical SMILES for (E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine is CCO/N=C/c1cnn(C)c1C.
What is the InChIKey of (E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine?
The InChIKey is JUKXWZNFDIXHSV-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-12-10-6-8-5-9-11(3)7(8)2/h5-6H,4H2,1-3H3/b10-6+.
What are the key properties of (E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine?
(E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine has a molecular weight of 167.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine is sourced from PubChem (CID 126996007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).