2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone

C17H15N3OS — CID 110336070

IUPAC2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCc3ccccc32)cc1-c1cccs1
InChIInChI=1S/C17H15N3OS/c1-19-15(16-7-4-10-22-16)11-13(18-19)17(21)20-9-8-12-5-2-3-6-14(12)20/h2-7,10-11H,8-9H2,1H3
InChIKeyVEFADBYGVGWCTL-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.35
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone

2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone (PubChem CID 110336070) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
PubChem CID110336070
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCc3ccccc32)cc1-c1cccs1
InChIInChI=1S/C17H15N3OS/c1-19-15(16-7-4-10-22-16)11-13(18-19)17(21)20-9-8-12-5-2-3-6-14(12)20/h2-7,10-11H,8-9H2,1H3
InChIKeyVEFADBYGVGWCTL-UHFFFAOYSA-N
XLogP3.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone
CID 110336182
2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 19615898
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335992
(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 66120055
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 56882248
(2-amino-1,3-oxazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 110857028
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 117218335
N-(2-fluorophenyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110336071
1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one
CID 110618375
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
(2-aminothiophen-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117213470

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone (CID 110336070) is 2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone is Cn1nc(C(=O)N2CCc3ccccc32)cc1-c1cccs1.
What is the InChIKey of 2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone?
The InChIKey is VEFADBYGVGWCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-19-15(16-7-4-10-22-16)11-13(18-19)17(21)20-9-8-12-5-2-3-6-14(12)20/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone?
2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone has a molecular weight of 309.39 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 110336070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).