[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C20H18BrN3O — CID 45147648

IUPAC[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C20H18BrN3O/c1-14-10-17-4-2-3-5-19(17)24(14)20(25)16-8-6-15(7-9-16)12-23-13-18(21)11-22-23/h2-9,11,13-14H,10,12H2,1H3
InChIKeyPKEICDOZLVQOJP-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.29
Rot. Bonds3

About [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 45147648) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID45147648
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C20H18BrN3O/c1-14-10-17-4-2-3-5-19(17)24(14)20(25)16-8-6-15(7-9-16)12-23-13-18(21)11-22-23/h2-9,11,13-14H,10,12H2,1H3
InChIKeyPKEICDOZLVQOJP-UHFFFAOYSA-N
XLogP4.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 99585246
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26910884
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 55752569
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 104851784
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980
[6-(ethylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62172788
N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 48845425

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 45147648) is [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc(Cn2cc(Br)cn2)cc1.
What is the InChIKey of [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is PKEICDOZLVQOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-10-17-4-2-3-5-19(17)24(14)20(25)16-8-6-15(7-9-16)12-23-13-18(21)11-22-23/h2-9,11,13-14H,10,12H2,1H3.
What are the key properties of [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 396.29 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 45147648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).