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

C18H21N3O3 — CID 119348886

IUPAC2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
SMILESCc1ccc(-n2nc(C(=O)NC(C)C(=O)O)c3c2CCC3)c(C)c1
InChIInChI=1S/C18H21N3O3/c1-10-7-8-14(11(2)9-10)21-15-6-4-5-13(15)16(20-21)17(22)19-12(3)18(23)24/h7-9,12H,4-6H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyUIWARACONZHCGF-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.18
Rot. Bonds4

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

2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid (PubChem CID 119348886) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
PubChem CID119348886
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
SMILESCc1ccc(-n2nc(C(=O)NC(C)C(=O)O)c3c2CCC3)c(C)c1
InChIInChI=1S/C18H21N3O3/c1-10-7-8-14(11(2)9-10)21-15-6-4-5-13(15)16(20-21)17(22)19-12(3)18(23)24/h7-9,12H,4-6H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyUIWARACONZHCGF-UHFFFAOYSA-N
XLogP2.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2R)-2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 119368975
(2R)-2-[[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119369877
N-(3-amino-2-methylpropyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119995427
4-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119352765
1-(2,4-dimethylphenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 99696325
N-[1-(aminomethyl)cyclopentyl]-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119565639
(2R)-3-methyl-2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119368106
1-(2,4-dimethylphenyl)-N-(1-hydroxy-2-oxopiperidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 155937760
2-[[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]propanoic acid
CID 119225220
1-(2,4-dimethylphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120948985
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119517635
1-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 119349631

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid (CID 119348886) is 2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid is Cc1ccc(-n2nc(C(=O)NC(C)C(=O)O)c3c2CCC3)c(C)c1.
What is the InChIKey of 2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
The InChIKey is UIWARACONZHCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-10-7-8-14(11(2)9-10)21-15-6-4-5-13(15)16(20-21)17(22)19-12(3)18(23)24/h7-9,12H,4-6H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119348886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).