[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C20H18BrN3O — CID 42943792

IUPAC[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1c(C(=O)N2c3ccccc3CC2C)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C20H18BrN3O/c1-13-11-15-5-3-4-6-19(15)23(13)20(25)18-12-22-24(14(18)2)17-9-7-16(21)8-10-17/h3-10,12-13H,11H2,1-2H3
InChIKeyMNKKXDHNDLGYHS-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.53
Rot. Bonds2

About [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 42943792) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID42943792
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1c(C(=O)N2c3ccccc3CC2C)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C20H18BrN3O/c1-13-11-15-5-3-4-6-19(15)23(13)20(25)18-12-22-24(14(18)2)17-9-7-16(21)8-10-17/h3-10,12-13H,11H2,1-2H3
InChIKeyMNKKXDHNDLGYHS-UHFFFAOYSA-N
XLogP4.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46538773
4-methyl-2-[5-methyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049037
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
1-(4-bromophenyl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-5-methylpyrazole-4-carboxamide
CID 97066451
(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 104851784
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 7742106
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 133265038
[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 99697362
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 42943792) is [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1c(C(=O)N2c3ccccc3CC2C)cnn1-c1ccc(Br)cc1.
What is the InChIKey of [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is MNKKXDHNDLGYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-13-11-15-5-3-4-6-19(15)23(13)20(25)18-12-22-24(14(18)2)17-9-7-16(21)8-10-17/h3-10,12-13H,11H2,1-2H3.
What are the key properties of [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 396.29 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 42943792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).