(E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine

C8H8N6 — CID 135604587

IUPAC(E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1ccn[nH]1)\c1ccn[nH]1
InChIInChI=1S/C8H8N6/c1-3-9-13-7(1)5-11-12-6-8-2-4-10-14-8/h1-6H,(H,9,13)(H,10,14)/b11-5+,12-6+
InChIKeyMMIUFLZEDDYAKI-YDWXAUTNSA-N
MW188.19 g/mol
LogP0.59
Rot. Bonds3

About (E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine

(E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine (PubChem CID 135604587) has the molecular formula C8H8N6 and a molecular weight of 188.19 g/mol. Its IUPAC name is (E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine
PubChem CID135604587
Molecular FormulaC8H8N6
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name(E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1ccn[nH]1)\c1ccn[nH]1
InChIInChI=1S/C8H8N6/c1-3-9-13-7(1)5-11-12-6-8-2-4-10-14-8/h1-6H,(H,9,13)(H,10,14)/b11-5+,12-6+
InChIKeyMMIUFLZEDDYAKI-YDWXAUTNSA-N
XLogP0.59
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-pyrazol-5-ylmethylidene)hydroxylamine
CID 2782173
5-propa-1,2-dienyl-1H-pyrazole
CID 176540034
(E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine
CID 137263424
1-ethyl-3-[(E)-1H-pyrazol-5-ylmethylideneamino]thiourea
CID 137272915
ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole
CID 90810948
5-[2-(2-fluorophenyl)ethenyl]-1H-pyrazole
CID 173291602
5-(2-thiophen-3-ylethenyl)-1H-pyrazole
CID 66979124
5-(2-naphthalen-2-ylethenyl)-1H-pyrazole
CID 66960480
5-[(Z)-2-naphthalen-2-ylethenyl]-1H-pyrazole
CID 44609560
(E)-2-cyano-3-(1H-pyrazol-5-yl)prop-2-enoic acid
CID 131310998
5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole
CID 118098362
1H-pyrazole-5-carbaldehyde;pyridin-2-amine
CID 175088983

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine?
The IUPAC name of (E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine (CID 135604587) is (E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine.
What is the SMILES notation for (E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine?
The canonical SMILES for (E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine is C(=N/N=C/c1ccn[nH]1)\c1ccn[nH]1.
What is the InChIKey of (E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine?
The InChIKey is MMIUFLZEDDYAKI-YDWXAUTNSA-N. The full InChI is InChI=1S/C8H8N6/c1-3-9-13-7(1)5-11-12-6-8-2-4-10-14-8/h1-6H,(H,9,13)(H,10,14)/b11-5+,12-6+.
What are the key properties of (E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine?
(E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine has a molecular weight of 188.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine is sourced from PubChem (CID 135604587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).