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

C18H20FN3O3 — CID 122107517

IUPAC2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid
SMILESCc1ccc(F)c(-n2nc(C(=O)N(C)C(C)C(=O)O)c3c2CCC3)c1
InChIInChI=1S/C18H20FN3O3/c1-10-7-8-13(19)15(9-10)22-14-6-4-5-12(14)16(20-22)17(23)21(3)11(2)18(24)25/h7-9,11H,4-6H2,1-3H3,(H,24,25)
InChIKeySGFDGYPNXSFIKX-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.35
Rot. Bonds4

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

2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid (PubChem CID 122107517) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid
PubChem CID122107517
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid
SMILESCc1ccc(F)c(-n2nc(C(=O)N(C)C(C)C(=O)O)c3c2CCC3)c1
InChIInChI=1S/C18H20FN3O3/c1-10-7-8-13(19)15(9-10)22-14-6-4-5-12(14)16(20-22)17(23)21(3)11(2)18(24)25/h7-9,11H,4-6H2,1-3H3,(H,24,25)
InChIKeySGFDGYPNXSFIKX-UHFFFAOYSA-N
XLogP2.35
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid with MolForge

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Related Compounds

1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974111
5-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pentanoic acid
CID 122107817
2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 122107432
1-(2-fluoro-4-methylphenyl)-N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120830166
2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid
CID 122108179
2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119202787
4-[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 122107865
1-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974044
1-(2,4-dichlorophenyl)-N,N-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71932378
N-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55917454
3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207081
2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119348886

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid (CID 122107517) is 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid is Cc1ccc(F)c(-n2nc(C(=O)N(C)C(C)C(=O)O)c3c2CCC3)c1.
What is the InChIKey of 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is SGFDGYPNXSFIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-10-7-8-13(19)15(9-10)22-14-6-4-5-12(14)16(20-22)17(23)21(3)11(2)18(24)25/h7-9,11H,4-6H2,1-3H3,(H,24,25).
What are the key properties of 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid?
2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 345.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 122107517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).