2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide

C10H17N3O — CID 19525814

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCc1cc(C)n(CC(=O)NC(C)C)n1
InChIInChI=1S/C10H17N3O/c1-7(2)11-10(14)6-13-9(4)5-8(3)12-13/h5,7H,6H2,1-4H3,(H,11,14)
InChIKeyXMSNYARCCYIXJF-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.02
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide

2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 19525814) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
PubChem CID19525814
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCc1cc(C)n(CC(=O)NC(C)C)n1
InChIInChI=1S/C10H17N3O/c1-7(2)11-10(14)6-13-9(4)5-8(3)12-13/h5,7H,6H2,1-4H3,(H,11,14)
InChIKeyXMSNYARCCYIXJF-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
(2R)-2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 79011206
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 43648199
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43648215
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 113346964
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 7447508
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 47317448
2-(3,5-dimethylpyrazol-1-yl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62045029
N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 95156635

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide (CID 19525814) is 2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide is Cc1cc(C)n(CC(=O)NC(C)C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is XMSNYARCCYIXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)11-10(14)6-13-9(4)5-8(3)12-13/h5,7H,6H2,1-4H3,(H,11,14).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 195.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 19525814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).