N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H19N3O3 — CID 111696311

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C17H19N3O3/c1-9-14(10(2)20(3)19-9)16(22)17(23)18-15-12-7-5-4-6-11(12)8-13(15)21/h4-7,13,15,21H,8H2,1-3H3,(H,18,23)
InChIKeyYDAQIUMTBARSLJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.99
Rot. Bonds3

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 111696311) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID111696311
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C17H19N3O3/c1-9-14(10(2)20(3)19-9)16(22)17(23)18-15-12-7-5-4-6-11(12)8-13(15)21/h4-7,13,15,21H,8H2,1-3H3,(H,18,23)
InChIKeyYDAQIUMTBARSLJ-UHFFFAOYSA-N
XLogP0.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97064386
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111658866
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-3-carboxamide
CID 103862965
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111658872
N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 111798540
3-(1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 111696380
1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 45148404
2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 84962872
2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134004336
2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 97065089
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 111696311) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1C(=O)C(=O)NC1c2ccccc2CC1O.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is YDAQIUMTBARSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-9-14(10(2)20(3)19-9)16(22)17(23)18-15-12-7-5-4-6-11(12)8-13(15)21/h4-7,13,15,21H,8H2,1-3H3,(H,18,23).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 111696311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).