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

C24H25N3O3 — CID 167845914

IUPAC2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
SMILESCc1cccc(C(CNC(=O)c2nn(-c3ccccc3C)c3c2CCC3)C(=O)O)c1
InChIInChI=1S/C24H25N3O3/c1-15-7-5-9-17(13-15)19(24(29)30)14-25-23(28)22-18-10-6-12-21(18)27(26-22)20-11-4-3-8-16(20)2/h3-5,7-9,11,13,19H,6,10,12,14H2,1-2H3,(H,25,28)(H,29,30)
InChIKeyIJADANRJBXYBSU-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.58
Rot. Bonds6

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

2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid (PubChem CID 167845914) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
PubChem CID167845914
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
SMILESCc1cccc(C(CNC(=O)c2nn(-c3ccccc3C)c3c2CCC3)C(=O)O)c1
InChIInChI=1S/C24H25N3O3/c1-15-7-5-9-17(13-15)19(24(29)30)14-25-23(28)22-18-10-6-12-21(18)27(26-22)20-11-4-3-8-16(20)2/h3-5,7-9,11,13,19H,6,10,12,14H2,1-2H3,(H,25,28)(H,29,30)
InChIKeyIJADANRJBXYBSU-UHFFFAOYSA-N
XLogP3.58
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-methyl-2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119368106
N-(3-amino-2-methylpropyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119995427
N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402
6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219866
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 122158695
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55689902
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126818881
N-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]formamide
CID 125419556
2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119348886
N-[3-(2-hydroxyethoxy)propyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110022185
1-(2-fluoro-4-methylphenyl)-N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120830166
2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198235

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid (CID 167845914) is 2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid is Cc1cccc(C(CNC(=O)c2nn(-c3ccccc3C)c3c2CCC3)C(=O)O)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
The InChIKey is IJADANRJBXYBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15-7-5-9-17(13-15)19(24(29)30)14-25-23(28)22-18-10-6-12-21(18)27(26-22)20-11-4-3-8-16(20)2/h3-5,7-9,11,13,19H,6,10,12,14H2,1-2H3,(H,25,28)(H,29,30).
What are the key properties of 2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid has a molecular weight of 403.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 167845914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).