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

C25H21N3O — CID 2310421

IUPAC(1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H21N3O/c1-18-16-20-12-8-9-15-23(20)28(18)25(29)22-17-27(21-13-6-3-7-14-21)26-24(22)19-10-4-2-5-11-19/h2-15,17-18H,16H2,1H3/t18-/m0/s1
InChIKeyBTKSZJZEQTZPIK-SFHVURJKSA-N
MW379.46 g/mol
LogP5.13
Rot. Bonds3

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

(1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 2310421) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID2310421
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name(1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H21N3O/c1-18-16-20-12-8-9-15-23(20)28(18)25(29)22-17-27(21-13-6-3-7-14-21)26-24(22)19-10-4-2-5-11-19/h2-15,17-18H,16H2,1H3/t18-/m0/s1
InChIKeyBTKSZJZEQTZPIK-SFHVURJKSA-N
XLogP5.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 17486470
(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)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46538773
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid
CID 42552584
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
(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)-(3-methyl-4-pyridinyl)methanone
CID 110863904
(1,3-diphenylpyrazol-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 26287013
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 42493337
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 25499914

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 2310421) is (1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is C[C@H]1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is BTKSZJZEQTZPIK-SFHVURJKSA-N. The full InChI is InChI=1S/C25H21N3O/c1-18-16-20-12-8-9-15-23(20)28(18)25(29)22-17-27(21-13-6-3-7-14-21)26-24(22)19-10-4-2-5-11-19/h2-15,17-18H,16H2,1H3/t18-/m0/s1.
What are the key properties of (1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
(1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 2310421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).