6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid

C20H25N3O3 — CID 119219866

IUPAC6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
SMILESCc1ccccc1-n1nc(C(=O)NCCCCCC(=O)O)c2c1CCC2
InChIInChI=1S/C20H25N3O3/c1-14-8-4-5-10-16(14)23-17-11-7-9-15(17)19(22-23)20(26)21-13-6-2-3-12-18(24)25/h4-5,8,10H,2-3,6-7,9,11-13H2,1H3,(H,21,26)(H,24,25)
InChIKeyMIZPTZDWVHTBQL-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.04
Rot. Bonds8

About 6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid

6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid (PubChem CID 119219866) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
PubChem CID119219866
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
SMILESCc1ccccc1-n1nc(C(=O)NCCCCCC(=O)O)c2c1CCC2
InChIInChI=1S/C20H25N3O3/c1-14-8-4-5-10-16(14)23-17-11-7-9-15(17)19(22-23)20(26)21-13-6-2-3-12-18(24)25/h4-5,8,10H,2-3,6-7,9,11-13H2,1H3,(H,21,26)(H,24,25)
InChIKeyMIZPTZDWVHTBQL-UHFFFAOYSA-N
XLogP3.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402
4-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119352765
N-[3-(2-hydroxyethoxy)propyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110022185
5-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pentanoic acid
CID 122107817
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 122158695
4-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229458
N-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]formamide
CID 125419556
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
(2R)-3-methyl-2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119368106
N-[3-(methylamino)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119430820
2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198235
2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 167845914

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid (CID 119219866) is 6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid is Cc1ccccc1-n1nc(C(=O)NCCCCCC(=O)O)c2c1CCC2.
What is the InChIKey of 6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid?
The InChIKey is MIZPTZDWVHTBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-8-4-5-10-16(14)23-17-11-7-9-15(17)19(22-23)20(26)21-13-6-2-3-12-18(24)25/h4-5,8,10H,2-3,6-7,9,11-13H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid?
6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid has a molecular weight of 355.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 119219866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).