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

C6H7N3 — CID 171812669

IUPACN-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine
SMILESC=N/C=c1/cn[nH]c1=C
InChIInChI=1S/C6H7N3/c1-5-6(3-7-2)4-8-9-5/h3-4,9H,1-2H2/b6-3-
InChIKeyRBFFAFLCADBNHN-UTCJRWHESA-N
MW121.14 g/mol
LogP-0.74
Rot. Bonds1

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

N-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine (PubChem CID 171812669) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is N-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine.

Molecular Properties

Compound NameN-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine
PubChem CID171812669
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC NameN-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine
SMILESC=N/C=c1/cn[nH]c1=C
InChIInChI=1S/C6H7N3/c1-5-6(3-7-2)4-8-9-5/h3-4,9H,1-2H2/b6-3-
InChIKeyRBFFAFLCADBNHN-UTCJRWHESA-N
XLogP-0.74
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-0.74
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)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine?
The IUPAC name of N-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine (CID 171812669) is N-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine.
What is the SMILES notation for N-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine?
The canonical SMILES for N-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine is C=N/C=c1/cn[nH]c1=C.
What is the InChIKey of N-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine?
The InChIKey is RBFFAFLCADBNHN-UTCJRWHESA-N. The full InChI is InChI=1S/C6H7N3/c1-5-6(3-7-2)4-8-9-5/h3-4,9H,1-2H2/b6-3-.
What are the key properties of N-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine?
N-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine has a molecular weight of 121.14 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylidene-1H-pyrazol-4-ylidene)methyl]methanimine is sourced from PubChem (CID 171812669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).