1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone

C7H11N3O — CID 11116254

IUPAC1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone
SMILESCC(=O)c1c(C)nn(C)c1N
InChIInChI=1S/C7H11N3O/c1-4-6(5(2)11)7(8)10(3)9-4/h8H2,1-3H3
InChIKeySYAUYDVLRRJHKT-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.51
Rot. Bonds1

About 1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone

1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone (PubChem CID 11116254) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone
PubChem CID11116254
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone
SMILESCC(=O)c1c(C)nn(C)c1N
InChIInChI=1S/C7H11N3O/c1-4-6(5(2)11)7(8)10(3)9-4/h8H2,1-3H3
InChIKeySYAUYDVLRRJHKT-UHFFFAOYSA-N
XLogP0.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one
CID 136903
1,3-Dimethyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135424139
1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135772535
4-ethyl-1,3-dimethyl-1H-pyrazol-5-amine
CID 6484241
6-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 137218174
1-(5-Fluoro-1,3-dimethylpyrazol-4-yl)ethanone
CID 18718222
1-[5-Amino-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 59957244
1-(5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethanone
CID 21588872
1-(5-Amino-1-tert-butyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 121597181
1-(3-Amino-1,5-dimethylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 121597427
5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 10654442
5-Amino-1,3-dimethylpyrazole-4-carbaldehyde
CID 15618873

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone (CID 11116254) is 1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone is CC(=O)c1c(C)nn(C)c1N.
What is the InChIKey of 1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone?
The InChIKey is SYAUYDVLRRJHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-6(5(2)11)7(8)10(3)9-4/h8H2,1-3H3.
What are the key properties of 1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone?
1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone has a molecular weight of 153.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,3-dimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 11116254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).