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

C19H17N3O — CID 110336182

IUPAC2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCc3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C19H17N3O/c1-21-18(14-7-3-2-4-8-14)13-16(20-21)19(23)22-12-11-15-9-5-6-10-17(15)22/h2-10,13H,11-12H2,1H3
InChIKeyBFHUISPUNNGNGH-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.29
Rot. Bonds2

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

2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone (PubChem CID 110336182) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone
PubChem CID110336182
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCc3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C19H17N3O/c1-21-18(14-7-3-2-4-8-14)13-16(20-21)19(23)22-12-11-15-9-5-6-10-17(15)22/h2-10,13H,11-12H2,1H3
InChIKeyBFHUISPUNNGNGH-UHFFFAOYSA-N
XLogP3.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 110336070
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one
CID 110618375
5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459383
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 117218335
2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4775931
(2-amino-1,3-oxazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 110857028
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
2,3-dihydroindol-1-yl-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 110856964
4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19623835
(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 66120055
1-[9-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-6-methyl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 133067782

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone (CID 110336182) is 2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone is Cn1nc(C(=O)N2CCc3ccccc32)cc1-c1ccccc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone?
The InChIKey is BFHUISPUNNGNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-21-18(14-7-3-2-4-8-14)13-16(20-21)19(23)22-12-11-15-9-5-6-10-17(15)22/h2-10,13H,11-12H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone?
2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 3.29, 2 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-methyl-5-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 110336182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).