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

C16H18ClN3O2 — CID 111658872

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2c3ccccc3CC2O)c(C)c1Cl
InChIInChI=1S/C16H18ClN3O2/c1-9-15(17)10(2)20(19-9)8-14(22)18-16-12-6-4-3-5-11(12)7-13(16)21/h3-6,13,16,21H,7-8H2,1-2H3,(H,18,22)
InChIKeyCHYIQHCJQBCLIM-UHFFFAOYSA-N
MW319.79 g/mol
LogP1.93
Rot. Bonds3

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

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 111658872) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID111658872
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2c3ccccc3CC2O)c(C)c1Cl
InChIInChI=1S/C16H18ClN3O2/c1-9-15(17)10(2)20(19-9)8-14(22)18-16-12-6-4-3-5-11(12)7-13(16)21/h3-6,13,16,21H,7-8H2,1-2H3,(H,18,22)
InChIKeyCHYIQHCJQBCLIM-UHFFFAOYSA-N
XLogP1.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
3-(1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 111696380
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49204369
1-(3-chloro-2-methyl-4-pyridinyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 91649382
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 74240162
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111696311
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 5302443
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 75429113

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide (CID 111658872) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide is Cc1nn(CC(=O)NC2c3ccccc3CC2O)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is CHYIQHCJQBCLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-9-15(17)10(2)20(19-9)8-14(22)18-16-12-6-4-3-5-11(12)7-13(16)21/h3-6,13,16,21H,7-8H2,1-2H3,(H,18,22).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 319.79 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 111658872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).