4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole

C9H13N3 — CID 79879163

IUPAC4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole
SMILESCCn1cc(C=C2CNC2)cn1
InChIInChI=1S/C9H13N3/c1-2-12-7-9(6-11-12)3-8-4-10-5-8/h3,6-7,10H,2,4-5H2,1H3
InChIKeyZGTDZTQBMWQSNX-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.89
Rot. Bonds2

About 4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole

4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole (PubChem CID 79879163) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole.

Molecular Properties

Compound Name4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole
PubChem CID79879163
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole
SMILESCCn1cc(C=C2CNC2)cn1
InChIInChI=1S/C9H13N3/c1-2-12-7-9(6-11-12)3-8-4-10-5-8/h3,6-7,10H,2,4-5H2,1H3
InChIKeyZGTDZTQBMWQSNX-UHFFFAOYSA-N
XLogP0.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole 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 4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole?
The IUPAC name of 4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole (CID 79879163) is 4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole.
What is the SMILES notation for 4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole?
The canonical SMILES for 4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole is CCn1cc(C=C2CNC2)cn1.
What is the InChIKey of 4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole?
The InChIKey is ZGTDZTQBMWQSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-12-7-9(6-11-12)3-8-4-10-5-8/h3,6-7,10H,2,4-5H2,1H3.
What are the key properties of 4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole?
4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole has a molecular weight of 163.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole is sourced from PubChem (CID 79879163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).