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

C20H23N3O3 — CID 119202787

IUPAC2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
SMILESCc1ccc(-n2nc(C(=O)N(C3CC3)C(C)C(=O)O)c3c2CCC3)cc1
InChIInChI=1S/C20H23N3O3/c1-12-6-8-15(9-7-12)23-17-5-3-4-16(17)18(21-23)19(24)22(14-10-11-14)13(2)20(25)26/h6-9,13-14H,3-5,10-11H2,1-2H3,(H,25,26)
InChIKeyMRVBZKPKBIJPJO-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.75
Rot. Bonds5

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

2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid (PubChem CID 119202787) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
PubChem CID119202787
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
SMILESCc1ccc(-n2nc(C(=O)N(C3CC3)C(C)C(=O)O)c3c2CCC3)cc1
InChIInChI=1S/C20H23N3O3/c1-12-6-8-15(9-7-12)23-17-5-3-4-16(17)18(21-23)19(24)22(14-10-11-14)13(2)20(25)26/h6-9,13-14H,3-5,10-11H2,1-2H3,(H,25,26)
InChIKeyMRVBZKPKBIJPJO-UHFFFAOYSA-N
XLogP2.75
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 122107432
3-[[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207207
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
1-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 119166353
1-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55879885
cis-(1R,3S)-3-[[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678955
2-[cyclopropyl-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]acetic acid
CID 119194785
2-[[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119223631
N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55597785
[4-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119559896
2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid
CID 122107517
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55597209

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid (CID 119202787) is 2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid is Cc1ccc(-n2nc(C(=O)N(C3CC3)C(C)C(=O)O)c3c2CCC3)cc1.
What is the InChIKey of 2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
The InChIKey is MRVBZKPKBIJPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-6-8-15(9-7-12)23-17-5-3-4-16(17)18(21-23)19(24)22(14-10-11-14)13(2)20(25)26/h6-9,13-14H,3-5,10-11H2,1-2H3,(H,25,26).
What are the key properties of 2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid has a molecular weight of 353.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119202787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).