N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide

C20H25N3O2 — CID 23723387

IUPACN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide
SMILESC=CCC(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1
InChIInChI=1S/C20H25N3O2/c1-5-6-19(24)22-17-11-20(2,3)12-18-16(17)13-21-23(18)14-7-9-15(25-4)10-8-14/h5,7-10,13,17H,1,6,11-12H2,2-4H3,(H,22,24)
InChIKeyWBVBUQFEQZATLK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.59
Rot. Bonds5

About N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide

N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide (PubChem CID 23723387) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide
PubChem CID23723387
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide
SMILESC=CCC(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1
InChIInChI=1S/C20H25N3O2/c1-5-6-19(24)22-17-11-20(2,3)12-18-16(17)13-21-23(18)14-7-9-15(25-4)10-8-14/h5,7-10,13,17H,1,6,11-12H2,2-4H3,(H,22,24)
InChIKeyWBVBUQFEQZATLK-UHFFFAOYSA-N
XLogP3.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide 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 N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide (CID 23723387) is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide is C=CCC(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide?
The InChIKey is WBVBUQFEQZATLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-6-19(24)22-17-11-20(2,3)12-18-16(17)13-21-23(18)14-7-9-15(25-4)10-8-14/h5,7-10,13,17H,1,6,11-12H2,2-4H3,(H,22,24).
What are the key properties of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide?
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide has a molecular weight of 339.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide is sourced from PubChem (CID 23723387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).