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

C11H19N3 — CID 166876736

IUPAC(Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine
SMILESC/C=C(CC)\C(=N/C)N1C=CCN1C
InChIInChI=1S/C11H19N3/c1-5-10(6-2)11(12-3)14-9-7-8-13(14)4/h5,7,9H,6,8H2,1-4H3/b10-5-,12-11+
InChIKeyBGMAQILVVNREPG-HVOHDJRZSA-N
MW193.29 g/mol
LogP2.05
Rot. Bonds2

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

(Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine (PubChem CID 166876736) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine
PubChem CID166876736
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine
SMILESC/C=C(CC)\C(=N/C)N1C=CCN1C
InChIInChI=1S/C11H19N3/c1-5-10(6-2)11(12-3)14-9-7-8-13(14)4/h5,7,9H,6,8H2,1-4H3/b10-5-,12-11+
InChIKeyBGMAQILVVNREPG-HVOHDJRZSA-N
XLogP2.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine?
The IUPAC name of (Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine (CID 166876736) is (Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine is C/C=C(CC)\C(=N/C)N1C=CCN1C.
What is the InChIKey of (Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine?
The InChIKey is BGMAQILVVNREPG-HVOHDJRZSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-10(6-2)11(12-3)14-9-7-8-13(14)4/h5,7,9H,6,8H2,1-4H3/b10-5-,12-11+.
What are the key properties of (Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine?
(Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine has a molecular weight of 193.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-N-methyl-1-(2-methyl-3H-pyrazol-1-yl)but-2-en-1-imine is sourced from PubChem (CID 166876736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).