(1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

C20H19N3O — CID 99585246

IUPAC(1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H19N3O/c1-15-11-17-9-5-6-10-19(17)23(15)20(24)18-12-21-22(14-18)13-16-7-3-2-4-8-16/h2-10,12,14-15H,11,13H2,1H3/t15-/m0/s1
InChIKeyCOASDXAGVKBUOO-HNNXBMFYSA-N
MW317.39 g/mol
LogP3.52
Rot. Bonds3

About (1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

(1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 99585246) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID99585246
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H19N3O/c1-15-11-17-9-5-6-10-19(17)23(15)20(24)18-12-21-22(14-18)13-16-7-3-2-4-8-16/h2-10,12,14-15H,11,13H2,1H3/t15-/m0/s1
InChIKeyCOASDXAGVKBUOO-HNNXBMFYSA-N
XLogP3.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone with MolForge

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Related Compounds

[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 45147648
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 86870315
N-ethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-3-carboxamide
CID 109108564
methyl 1-[1-(2-methylpropyl)pyrazole-4-carbonyl]-2,3-dihydroindole-2-carboxylate
CID 86786576
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109055314
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 93487728
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26910884
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 55752569
N-benzyl-N-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109097722

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 99585246) is (1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is C[C@H]1Cc2ccccc2N1C(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of (1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is COASDXAGVKBUOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-11-17-9-5-6-10-19(17)23(15)20(24)18-12-21-22(14-18)13-16-7-3-2-4-8-16/h2-10,12,14-15H,11,13H2,1H3/t15-/m0/s1.
What are the key properties of (1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
(1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 99585246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).