1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone

C8H13N3O — CID 130027904

IUPAC1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(N(C)C)n[nH]c1C
InChIInChI=1S/C8H13N3O/c1-5-7(6(2)12)8(10-9-5)11(3)4/h1-4H3,(H,9,10)
InChIKeyWZXMJIZYAOWJBJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.99
Rot. Bonds2

About 1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone

1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone (PubChem CID 130027904) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone
PubChem CID130027904
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(N(C)C)n[nH]c1C
InChIInChI=1S/C8H13N3O/c1-5-7(6(2)12)8(10-9-5)11(3)4/h1-4H3,(H,9,10)
InChIKeyWZXMJIZYAOWJBJ-UHFFFAOYSA-N
XLogP0.99
TPSA48.99 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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-3-methyl-1H-pyrazol-4-yl)ethanone
CID 12058299
1-(5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)ethanone
CID 11116254
Bis(4-acetyl-5-methylpyrazole-3-yl)formamidine
CID 129831329
1-(5-methyl-3-morpholin-4-yl-1H-pyrazol-4-yl)ethanone
CID 139225376
1-[1,3-Dimethyl-5-(methylamino)pyrazol-4-yl]ethanone
CID 20703770
1-(3-Isocyano-1,5-dimethylpyrazol-4-yl)ethanone
CID 54491707
5-Chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 135968105
4-ethyl-N,N,5-trimethyl-1H-pyrazol-3-amine
CID 146478393
3-(dimethylamino)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 152182926
1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;(Z)-4-(dimethylamino)-3-methylpent-3-en-2-one
CID 157129826
1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;(Z)-4-(dimethylamino)-3-methylpent-3-en-2-one;methane
CID 159055490
1-(3-Amino-1,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 11019066

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone?
The IUPAC name of 1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone (CID 130027904) is 1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone is CC(=O)c1c(N(C)C)n[nH]c1C.
What is the InChIKey of 1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone?
The InChIKey is WZXMJIZYAOWJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-7(6(2)12)8(10-9-5)11(3)4/h1-4H3,(H,9,10).
What are the key properties of 1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone?
1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone has a molecular weight of 167.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone is sourced from PubChem (CID 130027904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).