N-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine

C7H9N3 — CID 123504831

IUPACN-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine
SMILESC=NC=c1cn[nH]c1=CC
InChIInChI=1S/C7H9N3/c1-3-7-6(4-8-2)5-9-10-7/h3-5,10H,2H2,1H3
InChIKeyIWVRMJWKFCLRBH-UHFFFAOYSA-N
MW135.17 g/mol
LogP-0.35
Rot. Bonds1

About N-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine

N-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine (PubChem CID 123504831) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is N-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine.

Molecular Properties

Compound NameN-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine
PubChem CID123504831
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC NameN-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine
SMILESC=NC=c1cn[nH]c1=CC
InChIInChI=1S/C7H9N3/c1-3-7-6(4-8-2)5-9-10-7/h3-5,10H,2H2,1H3
InChIKeyIWVRMJWKFCLRBH-UHFFFAOYSA-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-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine?
The IUPAC name of N-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine (CID 123504831) is N-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine.
What is the SMILES notation for N-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine?
The canonical SMILES for N-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine is C=NC=c1cn[nH]c1=CC.
What is the InChIKey of N-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine?
The InChIKey is IWVRMJWKFCLRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-7-6(4-8-2)5-9-10-7/h3-5,10H,2H2,1H3.
What are the key properties of N-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine?
N-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine 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-[(5-ethylidene-1H-pyrazol-4-ylidene)methyl]methanimine is sourced from PubChem (CID 123504831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).