1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine

C7H11N3 — CID 18721438

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine
SMILESC/N=C/n1nc(C)cc1C
InChIInChI=1S/C7H11N3/c1-6-4-7(2)10(9-6)5-8-3/h4-5H,1-3H3/b8-5+
InChIKeyIQHOJELMHXIYIR-VMPITWQZSA-N
MW137.19 g/mol
LogP1.01
Rot. Bonds1

About 1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine

1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine (PubChem CID 18721438) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine
PubChem CID18721438
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine
SMILESC/N=C/n1nc(C)cc1C
InChIInChI=1S/C7H11N3/c1-6-4-7(2)10(9-6)5-8-3/h4-5H,1-3H3/b8-5+
InChIKeyIQHOJELMHXIYIR-VMPITWQZSA-N
XLogP1.01
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine (CID 18721438) is 1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine is C/N=C/n1nc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine?
The InChIKey is IQHOJELMHXIYIR-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-4-7(2)10(9-6)5-8-3/h4-5H,1-3H3/b8-5+.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine?
1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine has a molecular weight of 137.19 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine is sourced from PubChem (CID 18721438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).