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

C20H25N3O — CID 88905288

IUPAC1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol
SMILESC=C/C=c1/c(N2CCC(O)CC2)nn(-c2ccc(C)cc2)/c1=C/C
InChIInChI=1S/C20H25N3O/c1-4-6-18-19(5-2)23(16-9-7-15(3)8-10-16)21-20(18)22-13-11-17(24)12-14-22/h4-10,17,24H,1,11-14H2,2-3H3/b18-6+,19-5+
InChIKeyPZANOKAZLFBSFK-YAGQINFBSA-N
MW323.44 g/mol
LogP1.91
Rot. Bonds3

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

1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol (PubChem CID 88905288) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol
PubChem CID88905288
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol
SMILESC=C/C=c1/c(N2CCC(O)CC2)nn(-c2ccc(C)cc2)/c1=C/C
InChIInChI=1S/C20H25N3O/c1-4-6-18-19(5-2)23(16-9-7-15(3)8-10-16)21-20(18)22-13-11-17(24)12-14-22/h4-10,17,24H,1,11-14H2,2-3H3/b18-6+,19-5+
InChIKeyPZANOKAZLFBSFK-YAGQINFBSA-N
XLogP1.91
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol?
The IUPAC name of 1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol (CID 88905288) is 1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol is C=C/C=c1/c(N2CCC(O)CC2)nn(-c2ccc(C)cc2)/c1=C/C.
What is the InChIKey of 1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol?
The InChIKey is PZANOKAZLFBSFK-YAGQINFBSA-N. The full InChI is InChI=1S/C20H25N3O/c1-4-6-18-19(5-2)23(16-9-7-15(3)8-10-16)21-20(18)22-13-11-17(24)12-14-22/h4-10,17,24H,1,11-14H2,2-3H3/b18-6+,19-5+.
What are the key properties of 1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol?
1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol has a molecular weight of 323.44 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E,5E)-5-ethylidene-1-(4-methylphenyl)-4-prop-2-enylidenepyrazol-3-yl]piperidin-4-ol is sourced from PubChem (CID 88905288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).