3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one

C15H17N3O2 — CID 83035129

IUPAC3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one
SMILESCCn1nc(C)cc1CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C15H17N3O2/c1-3-18-11(8-10(2)17-18)9-15(20)12-6-4-5-7-13(12)16-14(15)19/h4-8,20H,3,9H2,1-2H3,(H,16,19)
InChIKeyWROYGSTUXLXWJW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.59
Rot. Bonds3

About 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one

3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one (PubChem CID 83035129) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one
PubChem CID83035129
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one
SMILESCCn1nc(C)cc1CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C15H17N3O2/c1-3-18-11(8-10(2)17-18)9-15(20)12-6-4-5-7-13(12)16-14(15)19/h4-8,20H,3,9H2,1-2H3,(H,16,19)
InChIKeyWROYGSTUXLXWJW-UHFFFAOYSA-N
XLogP1.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one
CID 71540384
3-(5-Amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one
CID 3296470
3-(5-Amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one
CID 5080638
1-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-methylindol-2-one
CID 71540146
3-(Fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one
CID 71540147
3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one
CID 4187650
3-[5-Amino-1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
CID 16260076
3-[5-Amino-4-(1-butyl-3-hydroxy-2-oxoindol-3-yl)-3-methylpyrazol-1-yl]propanenitrile
CID 16260147
3-[5-amino-4-[(3R)-5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl]-3-methylpyrazol-1-yl]propanenitrile
CID 8097054
3-[5-amino-4-[(3S)-5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl]-3-methylpyrazol-1-yl]propanenitrile
CID 8097056
3-[5-amino-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methylpyrazol-1-yl]propanenitrile
CID 16260074
3-Hydroxy-1-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one
CID 71620817

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one (CID 83035129) is 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one is CCn1nc(C)cc1CC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is WROYGSTUXLXWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-18-11(8-10(2)17-18)9-15(20)12-6-4-5-7-13(12)16-14(15)19/h4-8,20H,3,9H2,1-2H3,(H,16,19).
What are the key properties of 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one?
3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 83035129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).