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

C10H17N3O — CID 110847891

IUPAC2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
SMILESCc1cc(CC(=O)NC(C)C)n(C)n1
InChIInChI=1S/C10H17N3O/c1-7(2)11-10(14)6-9-5-8(3)12-13(9)4/h5,7H,6H2,1-4H3,(H,11,14)
InChIKeyNFSIUMSDHWKURK-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.80
Rot. Bonds3

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

2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide (PubChem CID 110847891) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
PubChem CID110847891
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
SMILESCc1cc(CC(=O)NC(C)C)n(C)n1
InChIInChI=1S/C10H17N3O/c1-7(2)11-10(14)6-9-5-8(3)12-13(9)4/h5,7H,6H2,1-4H3,(H,11,14)
InChIKeyNFSIUMSDHWKURK-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 110836656
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
2-(2,5-dimethylpyrazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110858132
N-(3,5-dimethylphenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110857445
2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 110836652
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110851373
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide (CID 110847891) is 2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide is Cc1cc(CC(=O)NC(C)C)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide?
The InChIKey is NFSIUMSDHWKURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)11-10(14)6-9-5-8(3)12-13(9)4/h5,7H,6H2,1-4H3,(H,11,14).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide?
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide has a molecular weight of 195.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 110847891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).