1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one

C16H19N3O — CID 24791001

IUPAC1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one
SMILESCc1ccn(C(C)CC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C16H19N3O/c1-12-7-10-19(17-12)13(2)11-16(20)18-9-8-14-5-3-4-6-15(14)18/h3-7,10,13H,8-9,11H2,1-2H3
InChIKeyXLDKFSZOVGPPCS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.73
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one

1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one (PubChem CID 24791001) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one
PubChem CID24791001
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one
SMILESCc1ccn(C(C)CC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C16H19N3O/c1-12-7-10-19(17-12)13(2)11-16(20)18-9-8-14-5-3-4-6-15(14)18/h3-7,10,13H,8-9,11H2,1-2H3
InChIKeyXLDKFSZOVGPPCS-UHFFFAOYSA-N
XLogP2.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723494
3-(3,5-Dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 24790949
1-(2,3-Dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one
CID 24793689
1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]indoline
CID 725789
Methanone, (2,3-dihydro-1H-indol-1-yl)(1-methyl-1H-pyrazol-4-yl)-
CID 844673
1-[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]indoline
CID 1225706
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
(1-Ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone
CID 118120155
2-(1H-indazol-1-yl)-N,N-dimethylacetamide
CID 84583666
1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 156022397
1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]indoline
CID 903067
1-[3-(1H-pyrrol-1-yl)propanoyl]indoline
CID 3242701

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one (CID 24791001) is 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one is Cc1ccn(C(C)CC(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one?
The InChIKey is XLDKFSZOVGPPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-7-10-19(17-12)13(2)11-16(20)18-9-8-14-5-3-4-6-15(14)18/h3-7,10,13H,8-9,11H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one has a molecular weight of 269.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)butan-1-one is sourced from PubChem (CID 24791001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).