1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one

C15H19N3O — CID 79238113

IUPAC1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one
SMILESCc1nn(C)c(C)c1Cn1ccc2c1CCCC2=O
InChIInChI=1S/C15H19N3O/c1-10-13(11(2)17(3)16-10)9-18-8-7-12-14(18)5-4-6-15(12)19/h7-8H,4-6,9H2,1-3H3
InChIKeyOZAANVAWCYHVDS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.41
Rot. Bonds2

About 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one

1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 79238113) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one
PubChem CID79238113
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one
SMILESCc1nn(C)c(C)c1Cn1ccc2c1CCCC2=O
InChIInChI=1S/C15H19N3O/c1-10-13(11(2)17(3)16-10)9-18-8-7-12-14(18)5-4-6-15(12)19/h7-8H,4-6,9H2,1-3H3
InChIKeyOZAANVAWCYHVDS-UHFFFAOYSA-N
XLogP2.41
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one (CID 79238113) is 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one is Cc1nn(C)c(C)c1Cn1ccc2c1CCCC2=O.
What is the InChIKey of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is OZAANVAWCYHVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-13(11(2)17(3)16-10)9-18-8-7-12-14(18)5-4-6-15(12)19/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one?
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 257.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 79238113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).