N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C17H21N3O2 — CID 30098859

IUPACN-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C17H21N3O2/c1-22-12-6-11-18-17(21)16-14-9-5-10-15(14)20(19-16)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,18,21)
InChIKeyAMAGGMHMMBUHNC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.13
Rot. Bonds6

About N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 30098859) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID30098859
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C17H21N3O2/c1-22-12-6-11-18-17(21)16-14-9-5-10-15(14)20(19-16)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,18,21)
InChIKeyAMAGGMHMMBUHNC-UHFFFAOYSA-N
XLogP2.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(methylamino)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119430820
N-[3-(dimethylamino)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389156
1-phenyl-N-(3-phenylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46563272
N-(2-hydroxyethyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 78888197
N-[2-(4-chlorophenoxy)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46680579
1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119391794
N-[3-(2-fluorophenoxy)propyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18288305
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25480531
1-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24605170
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 30098859) is N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is COCCCNC(=O)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is AMAGGMHMMBUHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-22-12-6-11-18-17(21)16-14-9-5-10-15(14)20(19-16)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,18,21).
What are the key properties of N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 30098859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).