[4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol

C20H25N3O2 — CID 144552544

IUPAC[4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol
SMILESC=C/C=c1/c(N2CCOC(CO)C2)nn(-c2ccc(C)cc2)/c1=C/C
InChIInChI=1S/C20H25N3O2/c1-4-6-18-19(5-2)23(16-9-7-15(3)8-10-16)21-20(18)22-11-12-25-17(13-22)14-24/h4-10,17,24H,1,11-14H2,2-3H3/b18-6+,19-5+
InChIKeyXXPROJNNSOSLHP-YAGQINFBSA-N
MW339.44 g/mol
LogP1.15
Rot. Bonds4

About [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol

[4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol (PubChem CID 144552544) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol
PubChem CID144552544
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol
SMILESC=C/C=c1/c(N2CCOC(CO)C2)nn(-c2ccc(C)cc2)/c1=C/C
InChIInChI=1S/C20H25N3O2/c1-4-6-18-19(5-2)23(16-9-7-15(3)8-10-16)21-20(18)22-11-12-25-17(13-22)14-24/h4-10,17,24H,1,11-14H2,2-3H3/b18-6+,19-5+
InChIKeyXXPROJNNSOSLHP-YAGQINFBSA-N
XLogP1.15
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol 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-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol (CID 144552544) is [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol is C=C/C=c1/c(N2CCOC(CO)C2)nn(-c2ccc(C)cc2)/c1=C/C.
What is the InChIKey of [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol?
The InChIKey is XXPROJNNSOSLHP-YAGQINFBSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-6-18-19(5-2)23(16-9-7-15(3)8-10-16)21-20(18)22-11-12-25-17(13-22)14-24/h4-10,17,24H,1,11-14H2,2-3H3/b18-6+,19-5+.
What are the key properties of [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol?
[4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol has a molecular weight of 339.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 144552544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).