1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one

C9H16N4O — CID 83618252

IUPAC1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)n1nc(C)cc1N
InChIInChI=1S/C9H16N4O/c1-6(5-11-3)9(14)13-8(10)4-7(2)12-13/h4,6,11H,5,10H2,1-3H3
InChIKeyIHRCPOSRHUAARJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.27
Rot. Bonds3

About 1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one

1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 83618252) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID83618252
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)n1nc(C)cc1N
InChIInChI=1S/C9H16N4O/c1-6(5-11-3)9(14)13-8(10)4-7(2)12-13/h4,6,11H,5,10H2,1-3H3
InChIKeyIHRCPOSRHUAARJ-UHFFFAOYSA-N
XLogP0.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one
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1-(5-amino-3-methylpyrazol-1-yl)-2,2,2-trifluoroethanone
CID 110461269
ethyl (Z)-2-amino-3-(5-amino-3-methylpyrazol-1-yl)-4-methylpent-2-enoate
CID 167079299
5-amino-3-methylpyrazole-1-carbothioamide
CID 102476487
(5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone
CID 110462579
(5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone
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(5-amino-3-methylpyrazol-1-yl)-(2-aminophenyl)methanone
CID 110465642
5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide
CID 110463822

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one (CID 83618252) is 1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)n1nc(C)cc1N.
What is the InChIKey of 1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is IHRCPOSRHUAARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(5-11-3)9(14)13-8(10)4-7(2)12-13/h4,6,11H,5,10H2,1-3H3.
What are the key properties of 1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one?
1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 196.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 83618252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).