1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C15H15N3O3 — CID 120691469

IUPAC1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)c3ccccc32)nn1C
InChIInChI=1S/C15H15N3O3/c1-9-7-12(16-17(9)2)14(19)18-8-11(15(20)21)10-5-3-4-6-13(10)18/h3-7,11H,8H2,1-2H3,(H,20,21)
InChIKeyNHRYQKJKWAKSRY-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.56
Rot. Bonds2

About 1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691469) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691469
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)c3ccccc32)nn1C
InChIInChI=1S/C15H15N3O3/c1-9-7-12(16-17(9)2)14(19)18-8-11(15(20)21)10-5-3-4-6-13(10)18/h3-7,11H,8H2,1-2H3,(H,20,21)
InChIKeyNHRYQKJKWAKSRY-UHFFFAOYSA-N
XLogP1.56
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691327
1-(1-methylimidazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 107971594
(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 99631997
(3S)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609689
1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564086
1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80562800
(3S)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574032
(3R)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574031
(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
1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564421

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 120691469) is 1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is Cc1cc(C(=O)N2CC(C(=O)O)c3ccccc32)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is NHRYQKJKWAKSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-7-12(16-17(9)2)14(19)18-8-11(15(20)21)10-5-3-4-6-13(10)18/h3-7,11H,8H2,1-2H3,(H,20,21).
What are the key properties of 1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).