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

C20H27N5O — CID 119391794

IUPAC1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C20H27N5O/c26-20(22-10-5-13-24-14-11-21-12-15-24)19-17-8-4-9-18(17)25(23-19)16-6-2-1-3-7-16/h1-3,6-7,21H,4-5,8-15H2,(H,22,26)
InChIKeyKVBQBZGMRZSDFI-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.39
Rot. Bonds6

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

1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 119391794) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID119391794
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C20H27N5O/c26-20(22-10-5-13-24-14-11-21-12-15-24)19-17-8-4-9-18(17)25(23-19)16-6-2-1-3-7-16/h1-3,6-7,21H,4-5,8-15H2,(H,22,26)
InChIKeyKVBQBZGMRZSDFI-UHFFFAOYSA-N
XLogP1.39
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126771769
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
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-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-phenyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119450844
1-(2-fluoro-4-methylphenyl)-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119446402
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
N-[3-(2-fluorophenoxy)propyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18288305

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 119391794) is 1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(NCCCN1CCNCC1)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of 1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is KVBQBZGMRZSDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-20(22-10-5-13-24-14-11-21-12-15-24)19-17-8-4-9-18(17)25(23-19)16-6-2-1-3-7-16/h1-3,6-7,21H,4-5,8-15H2,(H,22,26).
What are the key properties of 1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 119391794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).