2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone

C14H15N3O — CID 1225706

IUPAC2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCc3ccccc32)cnn1C
InChIInChI=1S/C14H15N3O/c1-10-12(9-15-16(10)2)14(18)17-8-7-11-5-3-4-6-13(11)17/h3-6,9H,7-8H2,1-2H3
InChIKeyIONFENJMUKPATL-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.93
Rot. Bonds1

About 2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone

2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 1225706) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID1225706
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCc3ccccc32)cnn1C
InChIInChI=1S/C14H15N3O/c1-10-12(9-15-16(10)2)14(18)17-8-7-11-5-3-4-6-13(11)17/h3-6,9H,7-8H2,1-2H3
InChIKeyIONFENJMUKPATL-UHFFFAOYSA-N
XLogP1.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone (CID 1225706) is 2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CCc3ccccc32)cnn1C.
What is the InChIKey of 2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is IONFENJMUKPATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-12(9-15-16(10)2)14(18)17-8-7-11-5-3-4-6-13(11)17/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone?
2,3-dihydroindol-1-yl-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 1.93, 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-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 1225706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).