N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine

C7H9N3 — CID 165136855

IUPACN-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine
SMILESC=c1cn[nH]/c1=C/N=C/C
InChIInChI=1S/C7H9N3/c1-3-8-5-7-6(2)4-9-10-7/h3-5,10H,2H2,1H3/b7-5+,8-3+
InChIKeyAMGDRJLMYBWHMG-FAFCXXFBSA-N
MW135.17 g/mol
LogP-0.35
Rot. Bonds1

About N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine

N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine (PubChem CID 165136855) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine
PubChem CID165136855
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC NameN-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine
SMILESC=c1cn[nH]/c1=C/N=C/C
InChIInChI=1S/C7H9N3/c1-3-8-5-7-6(2)4-9-10-7/h3-5,10H,2H2,1H3/b7-5+,8-3+
InChIKeyAMGDRJLMYBWHMG-FAFCXXFBSA-N
XLogP-0.35
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine?
The IUPAC name of N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine (CID 165136855) is N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine.
What is the SMILES notation for N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine?
The canonical SMILES for N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine is C=c1cn[nH]/c1=C/N=C/C.
What is the InChIKey of N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine?
The InChIKey is AMGDRJLMYBWHMG-FAFCXXFBSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-8-5-7-6(2)4-9-10-7/h3-5,10H,2H2,1H3/b7-5+,8-3+.
What are the key properties of N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine?
N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine has a molecular weight of 135.17 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine is sourced from PubChem (CID 165136855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).