2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide

C16H17N3O2 — CID 60802220

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C#CCO)n1
InChIInChI=1S/C16H17N3O2/c1-12-10-13(2)19(18-12)11-16(21)17-15-8-4-3-6-14(15)7-5-9-20/h3-4,6,8,10,20H,9,11H2,1-2H3,(H,17,21)
InChIKeyZZTROTZFHACSDQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.48
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide (PubChem CID 60802220) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
PubChem CID60802220
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C#CCO)n1
InChIInChI=1S/C16H17N3O2/c1-12-10-13(2)19(18-12)11-16(21)17-15-8-4-3-6-14(15)7-5-9-20/h3-4,6,8,10,20H,9,11H2,1-2H3,(H,17,21)
InChIKeyZZTROTZFHACSDQ-UHFFFAOYSA-N
XLogP1.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969753
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110690077
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzenesulfonyl fluoride
CID 116814136
2-(3,5-dimethylpyrazol-1-yl)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide
CID 60800509
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740437
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid
CID 60827241
N-(5-bromo-2-methylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43806572
2-(3-chlorophenyl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 62504278

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide (CID 60802220) is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide is Cc1cc(C)n(CC(=O)Nc2ccccc2C#CCO)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The InChIKey is ZZTROTZFHACSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-10-13(2)19(18-12)11-16(21)17-15-8-4-3-6-14(15)7-5-9-20/h3-4,6,8,10,20H,9,11H2,1-2H3,(H,17,21).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 60802220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).