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

C20H26N4O — CID 88905291

IUPAC[4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanamine
SMILESC=C/C=c1/c(N2CCOC(CN)C2)nn(-c2ccc(C)cc2)/c1=C/C
InChIInChI=1S/C20H26N4O/c1-4-6-18-19(5-2)24(16-9-7-15(3)8-10-16)22-20(18)23-11-12-25-17(13-21)14-23/h4-10,17H,1,11-14,21H2,2-3H3/b18-6+,19-5+
InChIKeyCAARGGGZFLHYDE-YAGQINFBSA-N
MW338.46 g/mol
LogP1.11
Rot. Bonds4

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

[4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanamine (PubChem CID 88905291) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanamine
PubChem CID88905291
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanamine
SMILESC=C/C=c1/c(N2CCOC(CN)C2)nn(-c2ccc(C)cc2)/c1=C/C
InChIInChI=1S/C20H26N4O/c1-4-6-18-19(5-2)24(16-9-7-15(3)8-10-16)22-20(18)23-11-12-25-17(13-21)14-23/h4-10,17H,1,11-14,21H2,2-3H3/b18-6+,19-5+
InChIKeyCAARGGGZFLHYDE-YAGQINFBSA-N
XLogP1.11
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]methanamine?
The IUPAC name of [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanamine (CID 88905291) is [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanamine is C=C/C=c1/c(N2CCOC(CN)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]methanamine?
The InChIKey is CAARGGGZFLHYDE-YAGQINFBSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-6-18-19(5-2)24(16-9-7-15(3)8-10-16)22-20(18)23-11-12-25-17(13-21)14-23/h4-10,17H,1,11-14,21H2,2-3H3/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]methanamine?
[4-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]morpholin-2-yl]methanamine has a molecular weight of 338.46 g/mol, XLogP of 1.11, 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]methanamine is sourced from PubChem (CID 88905291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).