2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone

C13H13N3O — CID 844673

IUPAC2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C13H13N3O/c1-15-9-11(8-14-15)13(17)16-7-6-10-4-2-3-5-12(10)16/h2-5,8-9H,6-7H2,1H3
InChIKeyPQLLCYOGQUSCOU-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.62
Rot. Bonds1

About 2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone

2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone (PubChem CID 844673) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone
PubChem CID844673
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C13H13N3O/c1-15-9-11(8-14-15)13(17)16-7-6-10-4-2-3-5-12(10)16/h2-5,8-9H,6-7H2,1H3
InChIKeyPQLLCYOGQUSCOU-UHFFFAOYSA-N
XLogP1.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione
CID 44251556
1-(4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione
CID 44251554
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
N-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 831887
1-[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]indoline
CID 1225706
2,3-Dihydroindol-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 5308192
(1-Ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone
CID 118120155
1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 822987
1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]indoline
CID 903067
1-Tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one
CID 3240158

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone (CID 844673) is 2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCc3ccccc32)cn1.
What is the InChIKey of 2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone?
The InChIKey is PQLLCYOGQUSCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-15-9-11(8-14-15)13(17)16-7-6-10-4-2-3-5-12(10)16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone?
2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone has a molecular weight of 227.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 844673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).