3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide

C16H20N4O2 — CID 6882781

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(/C=N/NC(=O)CCn2nc(C)cc2C)cc1
InChIInChI=1S/C16H20N4O2/c1-12-10-13(2)20(19-12)9-8-16(21)18-17-11-14-4-6-15(22-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)/b17-11+
InChIKeyCUDSFVSGXIROEI-GZTJUZNOSA-N
MW300.36 g/mol
LogP2.05
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide (PubChem CID 6882781) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
PubChem CID6882781
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(/C=N/NC(=O)CCn2nc(C)cc2C)cc1
InChIInChI=1S/C16H20N4O2/c1-12-10-13(2)20(19-12)9-8-16(21)18-17-11-14-4-6-15(22-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)/b17-11+
InChIKeyCUDSFVSGXIROEI-GZTJUZNOSA-N
XLogP2.05
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide 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 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide (CID 6882781) is 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide is COc1ccc(/C=N/NC(=O)CCn2nc(C)cc2C)cc1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is CUDSFVSGXIROEI-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-10-13(2)20(19-12)9-8-16(21)18-17-11-14-4-6-15(22-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)/b17-11+.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 300.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 6882781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).