(Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine

C7H9N3 — CID 88892676

IUPAC(Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine
SMILES[H]/N=C/C(=C\C)c1cn[nH]c1
InChIInChI=1S/C7H9N3/c1-2-6(3-8)7-4-9-10-5-7/h2-5,8H,1H3,(H,9,10)/b6-2+,8-3+
InChIKeyHOIFVKWMARCDIN-YALUOGEHSA-N
MW135.17 g/mol
LogP1.46
Rot. Bonds2

About (Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine

(Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine (PubChem CID 88892676) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is (Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine
PubChem CID88892676
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name(Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine
SMILES[H]/N=C/C(=C\C)c1cn[nH]c1
InChIInChI=1S/C7H9N3/c1-2-6(3-8)7-4-9-10-5-7/h2-5,8H,1H3,(H,9,10)/b6-2+,8-3+
InChIKeyHOIFVKWMARCDIN-YALUOGEHSA-N
XLogP1.46
TPSA52.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
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 (Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine?
The IUPAC name of (Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine (CID 88892676) is (Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine is [H]/N=C/C(=C\C)c1cn[nH]c1.
What is the InChIKey of (Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine?
The InChIKey is HOIFVKWMARCDIN-YALUOGEHSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-6(3-8)7-4-9-10-5-7/h2-5,8H,1H3,(H,9,10)/b6-2+,8-3+.
What are the key properties of (Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine?
(Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine has a molecular weight of 135.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1H-pyrazol-4-yl)but-2-en-1-imine is sourced from PubChem (CID 88892676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).