(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole

C19H21ClN2O — CID 88905514

IUPAC(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole
SMILESC=C/C=c1/c(C2CCOCC2)nn(-c2ccc(Cl)cc2)/c1=C/C
InChIInChI=1S/C19H21ClN2O/c1-3-5-17-18(4-2)22(16-8-6-15(20)7-9-16)21-19(17)14-10-12-23-13-11-14/h3-9,14H,1,10-13H2,2H3/b17-5+,18-4+
InChIKeyOIXBGSBZAIQEFJ-RNYCDPPRSA-N
MW328.84 g/mol
LogP3.19
Rot. Bonds3

About (4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole

(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole (PubChem CID 88905514) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole.

Molecular Properties

Compound Name(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole
PubChem CID88905514
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole
SMILESC=C/C=c1/c(C2CCOCC2)nn(-c2ccc(Cl)cc2)/c1=C/C
InChIInChI=1S/C19H21ClN2O/c1-3-5-17-18(4-2)22(16-8-6-15(20)7-9-16)21-19(17)14-10-12-23-13-11-14/h3-9,14H,1,10-13H2,2H3/b17-5+,18-4+
InChIKeyOIXBGSBZAIQEFJ-RNYCDPPRSA-N
XLogP3.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole 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 (4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole?
The IUPAC name of (4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole (CID 88905514) is (4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole.
What is the SMILES notation for (4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole?
The canonical SMILES for (4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole is C=C/C=c1/c(C2CCOCC2)nn(-c2ccc(Cl)cc2)/c1=C/C.
What is the InChIKey of (4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole?
The InChIKey is OIXBGSBZAIQEFJ-RNYCDPPRSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-3-5-17-18(4-2)22(16-8-6-15(20)7-9-16)21-19(17)14-10-12-23-13-11-14/h3-9,14H,1,10-13H2,2H3/b17-5+,18-4+.
What are the key properties of (4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole?
(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole has a molecular weight of 328.84 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-1-(4-chlorophenyl)-5-ethylidene-3-(oxan-4-yl)-4-prop-2-enylidenepyrazole is sourced from PubChem (CID 88905514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).