2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide

C8H13N3O — CID 167145716

IUPAC2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1cc(C)nn1C
InChIInChI=1S/C8H13N3O/c1-6-4-7(11(3)10-6)5-8(12)9-2/h4H,5H2,1-3H3,(H,9,12)
InChIKeyGGEONHVYHYRMDS-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.02
Rot. Bonds2

About 2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide

2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide (PubChem CID 167145716) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
PubChem CID167145716
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1cc(C)nn1C
InChIInChI=1S/C8H13N3O/c1-6-4-7(11(3)10-6)5-8(12)9-2/h4H,5H2,1-3H3,(H,9,12)
InChIKeyGGEONHVYHYRMDS-UHFFFAOYSA-N
XLogP0.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
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
(2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 110836656
2-(2,5-dimethylpyrazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110858132
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
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 167914863
5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one
CID 66044438
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide (CID 167145716) is 2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide is CNC(=O)Cc1cc(C)nn1C.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide?
The InChIKey is GGEONHVYHYRMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-4-7(11(3)10-6)5-8(12)9-2/h4H,5H2,1-3H3,(H,9,12).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide?
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide has a molecular weight of 167.21 g/mol, XLogP of 0.02, 2 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-methylacetamide is sourced from PubChem (CID 167145716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).