(Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine

C11H17N3 — CID 171524708

IUPAC(Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine
SMILES[H]/N=C(/C=C(/C)Cc1cnn(C)c1)CC
InChIInChI=1S/C11H17N3/c1-4-11(12)6-9(2)5-10-7-13-14(3)8-10/h6-8,12H,4-5H2,1-3H3/b9-6-,12-11+
InChIKeyRPXYNOAYXNBIHT-QBJFVVIPSA-N
MW191.28 g/mol
LogP2.34
Rot. Bonds4

About (Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine

(Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine (PubChem CID 171524708) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine
PubChem CID171524708
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine
SMILES[H]/N=C(/C=C(/C)Cc1cnn(C)c1)CC
InChIInChI=1S/C11H17N3/c1-4-11(12)6-9(2)5-10-7-13-14(3)8-10/h6-8,12H,4-5H2,1-3H3/b9-6-,12-11+
InChIKeyRPXYNOAYXNBIHT-QBJFVVIPSA-N
XLogP2.34
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine
CID 67952565
2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine
CID 103392262
ethane;4-ethyl-1-methylpyrazole
CID 143829284
dideuterio-(1-methylpyrazol-4-yl)methanol
CID 170523002
2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone
CID 65423483
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
1-ethylsulfanyl-3-(1-methylpyrazol-4-yl)propan-2-one
CID 65130546
tert-butyl 2-(1-methylpyrazol-4-yl)acetate
CID 71758654
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-methyl-4-propylpyrazole;propane
CID 155742221
N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 86795405
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine?
The IUPAC name of (Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine (CID 171524708) is (Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine.
What is the SMILES notation for (Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine?
The canonical SMILES for (Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine is [H]/N=C(/C=C(/C)Cc1cnn(C)c1)CC.
What is the InChIKey of (Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine?
The InChIKey is RPXYNOAYXNBIHT-QBJFVVIPSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-11(12)6-9(2)5-10-7-13-14(3)8-10/h6-8,12H,4-5H2,1-3H3/b9-6-,12-11+.
What are the key properties of (Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine?
(Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine has a molecular weight of 191.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine is sourced from PubChem (CID 171524708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).