1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid

C15H15N3O3 — CID 103847276

IUPAC1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCc1nn(C)cc1C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-9-11(8-17(2)16-9)14(19)18-12-6-4-3-5-10(12)7-13(18)15(20)21/h3-6,8,13H,7H2,1-2H3,(H,20,21)
InChIKeyZMXUVMNXGCYWLI-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.38
Rot. Bonds2

About 1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid

1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 103847276) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID103847276
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCc1nn(C)cc1C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-9-11(8-17(2)16-9)14(19)18-12-6-4-3-5-10(12)7-13(18)15(20)21/h3-6,8,13H,7H2,1-2H3,(H,20,21)
InChIKeyZMXUVMNXGCYWLI-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 66126249
(2-methyl-2,3-dihydroindol-1-yl)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100
1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196844
1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid
CID 42552584
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 114818785
1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825951
(1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 71873473
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825942
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 103847276) is 1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid is Cc1nn(C)cc1C(=O)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is ZMXUVMNXGCYWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-11(8-17(2)16-9)14(19)18-12-6-4-3-5-10(12)7-13(18)15(20)21/h3-6,8,13H,7H2,1-2H3,(H,20,21).
What are the key properties of 1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 103847276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).