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

C15H15N3O3 — CID 66126249

IUPAC(2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCc1cc(C(=O)N2c3ccccc3C[C@H]2C(=O)O)n(C)n1
InChIInChI=1S/C15H15N3O3/c1-9-7-12(17(2)16-9)14(19)18-11-6-4-3-5-10(11)8-13(18)15(20)21/h3-7,13H,8H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyOBURAWRCKJLQCM-ZDUSSCGKSA-N
MW285.30 g/mol
LogP1.38
Rot. Bonds2

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

(2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 66126249) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID66126249
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCc1cc(C(=O)N2c3ccccc3C[C@H]2C(=O)O)n(C)n1
InChIInChI=1S/C15H15N3O3/c1-9-7-12(17(2)16-9)14(19)18-11-6-4-3-5-10(11)8-13(18)15(20)21/h3-7,13H,8H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyOBURAWRCKJLQCM-ZDUSSCGKSA-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

1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 103847276
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-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764226
1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764223
1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825942
1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196844
(2S)-1-(3-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 28978868
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
1-(1-benzylpyrrole-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 113221618
(2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 138995578

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 66126249) is (2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is Cc1cc(C(=O)N2c3ccccc3C[C@H]2C(=O)O)n(C)n1.
What is the InChIKey of (2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is OBURAWRCKJLQCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-7-12(17(2)16-9)14(19)18-11-6-4-3-5-10(11)8-13(18)15(20)21/h3-7,13H,8H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-(2,5-dimethylpyrazole-3-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 (2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 66126249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).