[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone

C22H21F2N3O — CID 166272815

IUPAC[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone
SMILESCc1c(C(=O)N2CC(C(C)C)c3ccccc32)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C22H21F2N3O/c1-13(2)18-12-26(20-7-5-4-6-16(18)20)22(28)17-11-25-27(14(17)3)21-9-8-15(23)10-19(21)24/h4-11,13,18H,12H2,1-3H3
InChIKeyQUEKEGHXFOYJMM-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.86
Rot. Bonds3

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

[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 166272815) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID166272815
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone
SMILESCc1c(C(=O)N2CC(C(C)C)c3ccccc32)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C22H21F2N3O/c1-13(2)18-12-26(20-7-5-4-6-16(18)20)22(28)17-11-25-27(14(17)3)21-9-8-15(23)10-19(21)24/h4-11,13,18H,12H2,1-3H3
InChIKeyQUEKEGHXFOYJMM-UHFFFAOYSA-N
XLogP4.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 55881783
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 55671504
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
1,3-oxazol-2-yl-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone
CID 126830105
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55581576
(2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone
CID 143074172
N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide
CID 128612323
N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173
(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 134023843
2-cyclopropyl-2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]acetic acid
CID 119213517
4-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239314
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 71897836

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone (CID 166272815) is [1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone is Cc1c(C(=O)N2CC(C(C)C)c3ccccc32)cnn1-c1ccc(F)cc1F.
What is the InChIKey of [1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is QUEKEGHXFOYJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c1-13(2)18-12-26(20-7-5-4-6-16(18)20)22(28)17-11-25-27(14(17)3)21-9-8-15(23)10-19(21)24/h4-11,13,18H,12H2,1-3H3.
What are the key properties of [1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone?
[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 381.43 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 166272815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).