3-ethyl-4,5-di(ethylidene)-1H-pyrazole

C9H14N2 — CID 123653327

IUPAC3-ethyl-4,5-di(ethylidene)-1H-pyrazole
SMILESCC=c1[nH]nc(CC)c1=CC
InChIInChI=1S/C9H14N2/c1-4-7-8(5-2)10-11-9(7)6-3/h4-5,10H,6H2,1-3H3
InChIKeyIPYMDQKWQJPGCR-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.57
Rot. Bonds1

About 3-ethyl-4,5-di(ethylidene)-1H-pyrazole

3-ethyl-4,5-di(ethylidene)-1H-pyrazole (PubChem CID 123653327) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-ethyl-4,5-di(ethylidene)-1H-pyrazole.

Molecular Properties

Compound Name3-ethyl-4,5-di(ethylidene)-1H-pyrazole
PubChem CID123653327
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-ethyl-4,5-di(ethylidene)-1H-pyrazole
SMILESCC=c1[nH]nc(CC)c1=CC
InChIInChI=1S/C9H14N2/c1-4-7-8(5-2)10-11-9(7)6-3/h4-5,10H,6H2,1-3H3
InChIKeyIPYMDQKWQJPGCR-UHFFFAOYSA-N
XLogP0.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-4,5-di(ethylidene)-1H-pyrazole 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 3-ethyl-4,5-di(ethylidene)-1H-pyrazole?
The IUPAC name of 3-ethyl-4,5-di(ethylidene)-1H-pyrazole (CID 123653327) is 3-ethyl-4,5-di(ethylidene)-1H-pyrazole.
What is the SMILES notation for 3-ethyl-4,5-di(ethylidene)-1H-pyrazole?
The canonical SMILES for 3-ethyl-4,5-di(ethylidene)-1H-pyrazole is CC=c1[nH]nc(CC)c1=CC.
What is the InChIKey of 3-ethyl-4,5-di(ethylidene)-1H-pyrazole?
The InChIKey is IPYMDQKWQJPGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-7-8(5-2)10-11-9(7)6-3/h4-5,10H,6H2,1-3H3.
What are the key properties of 3-ethyl-4,5-di(ethylidene)-1H-pyrazole?
3-ethyl-4,5-di(ethylidene)-1H-pyrazole has a molecular weight of 150.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-di(ethylidene)-1H-pyrazole is sourced from PubChem (CID 123653327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).