N-(1,4-dimethylpyrazol-5-yl)methanimine

C6H9N3 — CID 146491771

IUPACN-(1,4-dimethylpyrazol-5-yl)methanimine
SMILESC=Nc1c(C)cnn1C
InChIInChI=1S/C6H9N3/c1-5-4-8-9(3)6(5)7-2/h4H,2H2,1,3H3
InChIKeyNZPLAPWGMDXEHC-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.06
Rot. Bonds1

About N-(1,4-dimethylpyrazol-5-yl)methanimine

N-(1,4-dimethylpyrazol-5-yl)methanimine (PubChem CID 146491771) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-(1,4-dimethylpyrazol-5-yl)methanimine.

Molecular Properties

Compound NameN-(1,4-dimethylpyrazol-5-yl)methanimine
PubChem CID146491771
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-(1,4-dimethylpyrazol-5-yl)methanimine
SMILESC=Nc1c(C)cnn1C
InChIInChI=1S/C6H9N3/c1-5-4-8-9(3)6(5)7-2/h4H,2H2,1,3H3
InChIKeyNZPLAPWGMDXEHC-UHFFFAOYSA-N
XLogP1.06
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpyrazol-5-yl)methanimine?
The IUPAC name of N-(1,4-dimethylpyrazol-5-yl)methanimine (CID 146491771) is N-(1,4-dimethylpyrazol-5-yl)methanimine.
What is the SMILES notation for N-(1,4-dimethylpyrazol-5-yl)methanimine?
The canonical SMILES for N-(1,4-dimethylpyrazol-5-yl)methanimine is C=Nc1c(C)cnn1C.
What is the InChIKey of N-(1,4-dimethylpyrazol-5-yl)methanimine?
The InChIKey is NZPLAPWGMDXEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-4-8-9(3)6(5)7-2/h4H,2H2,1,3H3.
What are the key properties of N-(1,4-dimethylpyrazol-5-yl)methanimine?
N-(1,4-dimethylpyrazol-5-yl)methanimine has a molecular weight of 123.16 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrazol-5-yl)methanimine is sourced from PubChem (CID 146491771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).