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

C19H23N3O3 — CID 119198235

IUPAC2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid
SMILESCc1ccccc1-n1nc(C(=O)N(CC(=O)O)C(C)C)c2c1CCC2
InChIInChI=1S/C19H23N3O3/c1-12(2)21(11-17(23)24)19(25)18-14-8-6-10-16(14)22(20-18)15-9-5-4-7-13(15)3/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H,23,24)
InChIKeyLQSDGOITIUXNNB-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.60
Rot. Bonds5

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

2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid (PubChem CID 119198235) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid
PubChem CID119198235
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid
SMILESCc1ccccc1-n1nc(C(=O)N(CC(=O)O)C(C)C)c2c1CCC2
InChIInChI=1S/C19H23N3O3/c1-12(2)21(11-17(23)24)19(25)18-14-8-6-10-16(14)22(20-18)15-9-5-4-7-13(15)3/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H,23,24)
InChIKeyLQSDGOITIUXNNB-UHFFFAOYSA-N
XLogP2.60
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid (CID 119198235) is 2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid is Cc1ccccc1-n1nc(C(=O)N(CC(=O)O)C(C)C)c2c1CCC2.
What is the InChIKey of 2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid?
The InChIKey is LQSDGOITIUXNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12(2)21(11-17(23)24)19(25)18-14-8-6-10-16(14)22(20-18)15-9-5-4-7-13(15)3/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H,23,24).
What are the key properties of 2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid?
2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid has a molecular weight of 341.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).