1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C24H26FN3O2 — CID 25480531

IUPAC1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESC[C@H](OCCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccc1
InChIInChI=1S/C24H26FN3O2/c1-17(18-7-3-2-4-8-18)30-16-6-15-26-24(29)23-21-9-5-10-22(21)28(27-23)20-13-11-19(25)12-14-20/h2-4,7-8,11-14,17H,5-6,9-10,15-16H2,1H3,(H,26,29)/t17-/m0/s1
InChIKeyHDLMZAAGPNKAIM-KRWDZBQOSA-N
MW407.49 g/mol
LogP4.40
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 25480531) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID25480531
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESC[C@H](OCCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccc1
InChIInChI=1S/C24H26FN3O2/c1-17(18-7-3-2-4-8-18)30-16-6-15-26-24(29)23-21-9-5-10-22(21)28(27-23)20-13-11-19(25)12-14-20/h2-4,7-8,11-14,17H,5-6,9-10,15-16H2,1H3,(H,26,29)/t17-/m0/s1
InChIKeyHDLMZAAGPNKAIM-KRWDZBQOSA-N
XLogP4.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 30544749
N-[3-(2-fluorophenoxy)propyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18288305
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
1-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24605170
methyl 3-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-phenylpropanoate
CID 18288513
N-[1-(4-fluorophenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42929735
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37243307
N-[2-(dimethylamino)-1-phenylethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42939497
1-phenyl-N-(3-phenylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46563272
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-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 25480531) is 1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is C[C@H](OCCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is HDLMZAAGPNKAIM-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-17(18-7-3-2-4-8-18)30-16-6-15-26-24(29)23-21-9-5-10-22(21)28(27-23)20-13-11-19(25)12-14-20/h2-4,7-8,11-14,17H,5-6,9-10,15-16H2,1H3,(H,26,29)/t17-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 25480531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).