(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone

C20H19N3O — CID 46538773

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2c3ccccc3CC2C)cnn1-c1ccccc1
InChIInChI=1S/C20H19N3O/c1-14-12-16-8-6-7-11-19(16)22(14)20(24)18-13-21-23(15(18)2)17-9-4-3-5-10-17/h3-11,13-14H,12H2,1-2H3
InChIKeyMFZOURFDAHSYKJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.77
Rot. Bonds2

About (2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 46538773) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID46538773
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2c3ccccc3CC2C)cnn1-c1ccccc1
InChIInChI=1S/C20H19N3O/c1-14-12-16-8-6-7-11-19(16)22(14)20(24)18-13-21-23(15(18)2)17-9-4-3-5-10-17/h3-11,13-14H,12H2,1-2H3
InChIKeyMFZOURFDAHSYKJ-UHFFFAOYSA-N
XLogP3.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42943792
4-methyl-2-[5-methyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049037
(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
(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 138047673
(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
(1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 2310421
[(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
2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 133265038
(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 (2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone (CID 46538773) is (2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone is Cc1c(C(=O)N2c3ccccc3CC2C)cnn1-c1ccccc1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is MFZOURFDAHSYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-12-16-8-6-7-11-19(16)22(14)20(24)18-13-21-23(15(18)2)17-9-4-3-5-10-17/h3-11,13-14H,12H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 46538773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).