1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C19H23N3O3 — CID 120691327

IUPAC1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCC(CC)n1nc(C(=O)N2CC(C(=O)O)c3ccccc32)cc1C
InChIInChI=1S/C19H23N3O3/c1-4-13(5-2)22-12(3)10-16(20-22)18(23)21-11-15(19(24)25)14-8-6-7-9-17(14)21/h6-10,13,15H,4-5,11H2,1-3H3,(H,24,25)
InChIKeyIQUNPMXOCQBOMI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.38
Rot. Bonds5

About 1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691327) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691327
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCC(CC)n1nc(C(=O)N2CC(C(=O)O)c3ccccc32)cc1C
InChIInChI=1S/C19H23N3O3/c1-4-13(5-2)22-12(3)10-16(20-22)18(23)21-11-15(19(24)25)14-8-6-7-9-17(14)21/h6-10,13,15H,4-5,11H2,1-3H3,(H,24,25)
InChIKeyIQUNPMXOCQBOMI-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-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-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691469
1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691690
(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 99631997
1-(1-methylimidazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 107971594
1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564086
1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691318
(3R)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574031
(3S)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574032
1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80562800
(3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124575454
1-(2-bromobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564888
(3S)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574042

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 120691327) is 1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is CCC(CC)n1nc(C(=O)N2CC(C(=O)O)c3ccccc32)cc1C.
What is the InChIKey of 1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is IQUNPMXOCQBOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-13(5-2)22-12(3)10-16(20-22)18(23)21-11-15(19(24)25)14-8-6-7-9-17(14)21/h6-10,13,15H,4-5,11H2,1-3H3,(H,24,25).
What are the key properties of 1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).