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

C17H19N3O3 — CID 119171571

IUPAC2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
SMILESCCc1ccc(-n2nc(C(=O)NCC(=O)O)c3c2CCC3)cc1
InChIInChI=1S/C17H19N3O3/c1-2-11-6-8-12(9-7-11)20-14-5-3-4-13(14)16(19-20)17(23)18-10-15(21)22/h6-9H,2-5,10H2,1H3,(H,18,23)(H,21,22)
InChIKeyCEDRULZUQAKOFV-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.74
Rot. Bonds5

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

2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid (PubChem CID 119171571) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
PubChem CID119171571
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
SMILESCCc1ccc(-n2nc(C(=O)NCC(=O)O)c3c2CCC3)cc1
InChIInChI=1S/C17H19N3O3/c1-2-11-6-8-12(9-7-11)20-14-5-3-4-13(14)16(19-20)17(23)18-10-15(21)22/h6-9H,2-5,10H2,1H3,(H,18,23)(H,21,22)
InChIKeyCEDRULZUQAKOFV-UHFFFAOYSA-N
XLogP1.74
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
N-(2-aminoethyl)-1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119382313
2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231065
N-(1-amino-2-methylpropan-2-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119521670
4-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230031
3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207522
2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
CID 122107107
cis-(1S,3R)-3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676099
3-[[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]propanoic acid
CID 119351217
1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119424628
1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119533788
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid (CID 119171571) is 2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid is CCc1ccc(-n2nc(C(=O)NCC(=O)O)c3c2CCC3)cc1.
What is the InChIKey of 2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid?
The InChIKey is CEDRULZUQAKOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-11-6-8-12(9-7-11)20-14-5-3-4-13(14)16(19-20)17(23)18-10-15(21)22/h6-9H,2-5,10H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid?
2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid has a molecular weight of 313.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119171571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).