3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine

C25H24F2N4 — CID 129234867

IUPAC3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine
SMILESC=C1C(CC)=CN(c2cccc3c2CC(F)(F)C3)N=C1c1ccnn1C1C=CC=CC1
InChIInChI=1S/C25H24F2N4/c1-3-18-16-30(22-11-7-8-19-14-25(26,27)15-21(19)22)29-24(17(18)2)23-12-13-28-31(23)20-9-5-4-6-10-20/h4-9,11-13,16,20H,2-3,10,14-15H2,1H3
InChIKeyNOULIPDRWSQTLT-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.75
Rot. Bonds4

About 3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine

3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine (PubChem CID 129234867) has the molecular formula C25H24F2N4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine.

Molecular Properties

Compound Name3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine
PubChem CID129234867
Molecular FormulaC25H24F2N4
Molecular Weight418.49 g/mol
Exact Mass418.20
IUPAC Name3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine
SMILESC=C1C(CC)=CN(c2cccc3c2CC(F)(F)C3)N=C1c1ccnn1C1C=CC=CC1
InChIInChI=1S/C25H24F2N4/c1-3-18-16-30(22-11-7-8-19-14-25(26,27)15-21(19)22)29-24(17(18)2)23-12-13-28-31(23)20-9-5-4-6-10-20/h4-9,11-13,16,20H,2-3,10,14-15H2,1H3
InChIKeyNOULIPDRWSQTLT-UHFFFAOYSA-N
XLogP5.75
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine 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-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine?
The IUPAC name of 3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine (CID 129234867) is 3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine.
What is the SMILES notation for 3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine?
The canonical SMILES for 3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine is C=C1C(CC)=CN(c2cccc3c2CC(F)(F)C3)N=C1c1ccnn1C1C=CC=CC1.
What is the InChIKey of 3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine?
The InChIKey is NOULIPDRWSQTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4/c1-3-18-16-30(22-11-7-8-19-14-25(26,27)15-21(19)22)29-24(17(18)2)23-12-13-28-31(23)20-9-5-4-6-10-20/h4-9,11-13,16,20H,2-3,10,14-15H2,1H3.
What are the key properties of 3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine?
3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine has a molecular weight of 418.49 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexa-2,4-dien-1-ylpyrazol-3-yl)-1-(2,2-difluoro-1,3-dihydroinden-4-yl)-5-ethyl-4-methylidenepyridazine is sourced from PubChem (CID 129234867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).