1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid

C15H15N3O3 — CID 42552584

IUPAC1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1nn(C)cc1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-9-7-10-5-3-4-6-12(10)18(9)14(19)13-11(15(20)21)8-17(2)16-13/h3-6,8-9H,7H2,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyDEBKVEYTROTKGA-VIFPVBQESA-N
MW285.30 g/mol
LogP1.71
Rot. Bonds2

About 1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid

1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid (PubChem CID 42552584) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid
PubChem CID42552584
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1nn(C)cc1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-9-7-10-5-3-4-6-12(10)18(9)14(19)13-11(15(20)21)8-17(2)16-13/h3-6,8-9H,7H2,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyDEBKVEYTROTKGA-VIFPVBQESA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 26910878
1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 103847276
(1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 2310421
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
CID 110863849
(2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19916387
(1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 71873473
(1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 99585246
6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one
CID 42162075

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid (CID 42552584) is 1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid is C[C@H]1Cc2ccccc2N1C(=O)c1nn(C)cc1C(=O)O.
What is the InChIKey of 1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid?
The InChIKey is DEBKVEYTROTKGA-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-7-10-5-3-4-6-12(10)18(9)14(19)13-11(15(20)21)8-17(2)16-13/h3-6,8-9H,7H2,1-2H3,(H,20,21)/t9-/m0/s1.
What are the key properties of 1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid?
1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 42552584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).