4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine

C14H21N3O — CID 88905284

IUPAC4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine
SMILESC=C/C=c1/c(N2CCOC(C)(C)C2)n[nH]/c1=C/C
InChIInChI=1S/C14H21N3O/c1-5-7-11-12(6-2)15-16-13(11)17-8-9-18-14(3,4)10-17/h5-7,15H,1,8-10H2,2-4H3/b11-7+,12-6+
InChIKeyCSQCJCRTDSQNCK-IAVOFVOCSA-N
MW247.34 g/mol
LogP0.79
Rot. Bonds2

About 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine

4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine (PubChem CID 88905284) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine
PubChem CID88905284
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine
SMILESC=C/C=c1/c(N2CCOC(C)(C)C2)n[nH]/c1=C/C
InChIInChI=1S/C14H21N3O/c1-5-7-11-12(6-2)15-16-13(11)17-8-9-18-14(3,4)10-17/h5-7,15H,1,8-10H2,2-4H3/b11-7+,12-6+
InChIKeyCSQCJCRTDSQNCK-IAVOFVOCSA-N
XLogP0.79
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine 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-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine (CID 88905284) is 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine is C=C/C=c1/c(N2CCOC(C)(C)C2)n[nH]/c1=C/C.
What is the InChIKey of 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine?
The InChIKey is CSQCJCRTDSQNCK-IAVOFVOCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-5-7-11-12(6-2)15-16-13(11)17-8-9-18-14(3,4)10-17/h5-7,15H,1,8-10H2,2-4H3/b11-7+,12-6+.
What are the key properties of 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine?
4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine has a molecular weight of 247.34 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrazol-3-yl]-2,2-dimethylmorpholine is sourced from PubChem (CID 88905284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).