(Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine

C8H11N3 — CID 89109235

IUPAC(Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine
SMILESC/C=C\C=N\c1cc(C)[nH]n1
InChIInChI=1S/C8H11N3/c1-3-4-5-9-8-6-7(2)10-11-8/h3-6H,1-2H3,(H,10,11)/b4-3-,9-5+
InChIKeyLQVROIUYAGPKFO-XBURUKCPSA-N
MW149.20 g/mol
LogP2.00
Rot. Bonds2

About (Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine

(Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine (PubChem CID 89109235) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine
PubChem CID89109235
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine
SMILESC/C=C\C=N\c1cc(C)[nH]n1
InChIInChI=1S/C8H11N3/c1-3-4-5-9-8-6-7(2)10-11-8/h3-6H,1-2H3,(H,10,11)/b4-3-,9-5+
InChIKeyLQVROIUYAGPKFO-XBURUKCPSA-N
XLogP2.00
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 52.00
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 (Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine?
The IUPAC name of (Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine (CID 89109235) is (Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine is C/C=C\C=N\c1cc(C)[nH]n1.
What is the InChIKey of (Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine?
The InChIKey is LQVROIUYAGPKFO-XBURUKCPSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-4-5-9-8-6-7(2)10-11-8/h3-6H,1-2H3,(H,10,11)/b4-3-,9-5+.
What are the key properties of (Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine?
(Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine has a molecular weight of 149.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-methyl-1H-pyrazol-3-yl)but-2-en-1-imine is sourced from PubChem (CID 89109235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).