1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone

C21H22N4O — CID 26684955

IUPAC1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone
SMILESCN(CC(=O)N1CCc2ccccc21)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H22N4O/c1-23(14-17-13-22-25(15-17)19-8-3-2-4-9-19)16-21(26)24-12-11-18-7-5-6-10-20(18)24/h2-10,13,15H,11-12,14,16H2,1H3
InChIKeyDRVDHWDFDNHWIL-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.89
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone (PubChem CID 26684955) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone
PubChem CID26684955
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone
SMILESCN(CC(=O)N1CCc2ccccc21)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H22N4O/c1-23(14-17-13-22-25(15-17)19-8-3-2-4-9-19)16-21(26)24-12-11-18-7-5-6-10-20(18)24/h2-10,13,15H,11-12,14,16H2,1H3
InChIKeyDRVDHWDFDNHWIL-UHFFFAOYSA-N
XLogP2.89
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166183
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
(4S)-5-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 29427009
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416541
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone
CID 78841657
2-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]sulfanylbenzoic acid
CID 17494555
N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17441369
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 111858977

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone (CID 26684955) is 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone is CN(CC(=O)N1CCc2ccccc21)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone?
The InChIKey is DRVDHWDFDNHWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-23(14-17-13-22-25(15-17)19-8-3-2-4-9-19)16-21(26)24-12-11-18-7-5-6-10-20(18)24/h2-10,13,15H,11-12,14,16H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone has a molecular weight of 346.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone is sourced from PubChem (CID 26684955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).