N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide

C23H38N4O — CID 129490722

IUPACN-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide
SMILESC=C(C)Cn1nc(C)c(CCC(=O)N(C)C[C@H]2CCCN3CCCC[C@H]23)c1C
InChIInChI=1S/C23H38N4O/c1-17(2)15-27-19(4)21(18(3)24-27)11-12-23(28)25(5)16-20-9-8-14-26-13-7-6-10-22(20)26/h20,22H,1,6-16H2,2-5H3/t20-,22-/m1/s1
InChIKeyFCSPNRIJBMXIIB-IFMALSPDSA-N
MW386.58 g/mol
LogP3.73
Rot. Bonds7

About N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide

N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide (PubChem CID 129490722) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide
PubChem CID129490722
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC NameN-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide
SMILESC=C(C)Cn1nc(C)c(CCC(=O)N(C)C[C@H]2CCCN3CCCC[C@H]23)c1C
InChIInChI=1S/C23H38N4O/c1-17(2)15-27-19(4)21(18(3)24-27)11-12-23(28)25(5)16-20-9-8-14-26-13-7-6-10-22(20)26/h20,22H,1,6-16H2,2-5H3/t20-,22-/m1/s1
InChIKeyFCSPNRIJBMXIIB-IFMALSPDSA-N
XLogP3.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide?
The IUPAC name of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide (CID 129490722) is N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide.
What is the SMILES notation for N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide?
The canonical SMILES for N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide is C=C(C)Cn1nc(C)c(CCC(=O)N(C)C[C@H]2CCCN3CCCC[C@H]23)c1C.
What is the InChIKey of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide?
The InChIKey is FCSPNRIJBMXIIB-IFMALSPDSA-N. The full InChI is InChI=1S/C23H38N4O/c1-17(2)15-27-19(4)21(18(3)24-27)11-12-23(28)25(5)16-20-9-8-14-26-13-7-6-10-22(20)26/h20,22H,1,6-16H2,2-5H3/t20-,22-/m1/s1.
What are the key properties of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide?
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide has a molecular weight of 386.58 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-methylpropanamide is sourced from PubChem (CID 129490722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).