5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one

C7H13N3O — CID 83856689

IUPAC5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one
SMILESCn1c(CCN)cc(=O)n1C
InChIInChI=1S/C7H13N3O/c1-9-6(3-4-8)5-7(11)10(9)2/h5H,3-4,8H2,1-2H3
InChIKeyBTHGVWJFLYFTKM-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.77
Rot. Bonds2

About 5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one

5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one (PubChem CID 83856689) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one
PubChem CID83856689
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one
SMILESCn1c(CCN)cc(=O)n1C
InChIInChI=1S/C7H13N3O/c1-9-6(3-4-8)5-7(11)10(9)2/h5H,3-4,8H2,1-2H3
InChIKeyBTHGVWJFLYFTKM-UHFFFAOYSA-N
XLogP-0.77
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethyl-5-(3-oxobutyl)pyrazol-3-one
CID 83856703
2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile
CID 83856700
5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271236
3-(1,2-dimethyl-5-oxopyrazol-3-yl)-2,2-dimethylpropanoic acid
CID 83856730
5-[(3,5-dimethylphenyl)sulfanylmethyl]-1,2-dimethylpyrazol-3-one
CID 91571050
5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271251
6-(2-aminoethyl)-1-methylpyrimidin-2-one
CID 83851762
5-(2-aminoethyl)-1-methylpyrazol-3-amine
CID 83864147
5-(2-aminoethyl)-4-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271260
1,2,5-trimethylpyrazol-3-one;hydrate
CID 12743652
6-(2-aminoethyl)-1,2-dimethylindazol-3-one
CID 105457715
5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863937

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one?
The IUPAC name of 5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one (CID 83856689) is 5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one.
What is the SMILES notation for 5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one?
The canonical SMILES for 5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one is Cn1c(CCN)cc(=O)n1C.
What is the InChIKey of 5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one?
The InChIKey is BTHGVWJFLYFTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-9-6(3-4-8)5-7(11)10(9)2/h5H,3-4,8H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one?
5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one has a molecular weight of 155.20 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one is sourced from PubChem (CID 83856689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).