1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone

C8H13N3O — CID 58202107

IUPAC1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone
SMILESCC(=O)c1cc(N(C)C)n(C)n1
InChIInChI=1S/C8H13N3O/c1-6(12)7-5-8(10(2)3)11(4)9-7/h5H,1-4H3
InChIKeyDJWKUMKRISUQKH-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.69
Rot. Bonds2

About 1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone

1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone (PubChem CID 58202107) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone
PubChem CID58202107
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone
SMILESCC(=O)c1cc(N(C)C)n(C)n1
InChIInChI=1S/C8H13N3O/c1-6(12)7-5-8(10(2)3)11(4)9-7/h5H,1-4H3
InChIKeyDJWKUMKRISUQKH-UHFFFAOYSA-N
XLogP0.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone?
The IUPAC name of 1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone (CID 58202107) is 1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone is CC(=O)c1cc(N(C)C)n(C)n1.
What is the InChIKey of 1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone?
The InChIKey is DJWKUMKRISUQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(12)7-5-8(10(2)3)11(4)9-7/h5H,1-4H3.
What are the key properties of 1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone?
1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone has a molecular weight of 167.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-1-methylpyrazol-3-yl]ethanone is sourced from PubChem (CID 58202107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).