2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid

C17H19N3O3 — CID 154844250

IUPAC2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid
SMILESCc1c(CCC(=O)N2Cc3ccc(C(=O)O)cc3C2)cnn1C
InChIInChI=1S/C17H19N3O3/c1-11-13(8-18-19(11)2)5-6-16(21)20-9-14-4-3-12(17(22)23)7-15(14)10-20/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,22,23)
InChIKeyKUWHPLCVQXBHMK-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.90
Rot. Bonds4

About 2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid

2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 154844250) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID154844250
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid
SMILESCc1c(CCC(=O)N2Cc3ccc(C(=O)O)cc3C2)cnn1C
InChIInChI=1S/C17H19N3O3/c1-11-13(8-18-19(11)2)5-6-16(21)20-9-14-4-3-12(17(22)23)7-15(14)10-20/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,22,23)
InChIKeyKUWHPLCVQXBHMK-UHFFFAOYSA-N
XLogP1.90
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic 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

1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 138994571
2-(3-methylsulfanylpropanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 113363484
2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999365
2-(2-pyridin-4-ylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997240
2-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997266
2-(2-methylpyrazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997138
2-(6-amino-4-methylhexanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999431
1-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 138000791
2-(3-methoxy-3-methylbutanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103019250
2-(2-propan-2-ylsulfanylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 113363473
2-(2-ethoxyacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997130
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 124998866

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid (CID 154844250) is 2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid is Cc1c(CCC(=O)N2Cc3ccc(C(=O)O)cc3C2)cnn1C.
What is the InChIKey of 2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is KUWHPLCVQXBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-13(8-18-19(11)2)5-6-16(21)20-9-14-4-3-12(17(22)23)7-15(14)10-20/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid?
2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 154844250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).