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

C10H18N4O — CID 110838306

IUPAC1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one
SMILESCNC(C)(C)CC(=O)n1nc(C)cc1N
InChIInChI=1S/C10H18N4O/c1-7-5-8(11)14(13-7)9(15)6-10(2,3)12-4/h5,12H,6,11H2,1-4H3
InChIKeyLBCSWODZOUHOPO-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.80
Rot. Bonds3

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

1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one (PubChem CID 110838306) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one
PubChem CID110838306
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one
SMILESCNC(C)(C)CC(=O)n1nc(C)cc1N
InChIInChI=1S/C10H18N4O/c1-7-5-8(11)14(13-7)9(15)6-10(2,3)12-4/h5,12H,6,11H2,1-4H3
InChIKeyLBCSWODZOUHOPO-UHFFFAOYSA-N
XLogP0.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone
CID 83618012
1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one
CID 110460709
methyl 5-amino-3-methylpyrazole-1-carboxylate
CID 110459451
1-(5-amino-3-methylpyrazol-1-yl)-2,2,2-trifluoroethanone
CID 110461269
1-(3-aminopyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one
CID 83618185
1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 83618252
5-amino-N,N,3-trimethylpyrazole-1-carboxamide
CID 18339347
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)-(2-aminophenyl)methanone
CID 110465642
1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone
CID 110463862
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)-3-methyl-3-(methylamino)butan-1-one?
The IUPAC name of 1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one (CID 110838306) is 1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one.
What is the SMILES notation for 1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one?
The canonical SMILES for 1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one is CNC(C)(C)CC(=O)n1nc(C)cc1N.
What is the InChIKey of 1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one?
The InChIKey is LBCSWODZOUHOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-5-8(11)14(13-7)9(15)6-10(2,3)12-4/h5,12H,6,11H2,1-4H3.
What are the key properties of 1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one?
1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one has a molecular weight of 210.28 g/mol, XLogP of 0.80, 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)-3-methyl-3-(methylamino)butan-1-one is sourced from PubChem (CID 110838306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).