3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one

C11H19N3O — CID 116573541

IUPAC3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one
SMILESCn1cc(C(=O)C(C)(C)C(C)(C)N)cn1
InChIInChI=1S/C11H19N3O/c1-10(2,11(3,4)12)9(15)8-6-13-14(5)7-8/h6-7H,12H2,1-5H3
InChIKeyISNRVEZLYLBNIA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.37
Rot. Bonds3

About 3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one

3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one (PubChem CID 116573541) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one
PubChem CID116573541
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one
SMILESCn1cc(C(=O)C(C)(C)C(C)(C)N)cn1
InChIInChI=1S/C11H19N3O/c1-10(2,11(3,4)12)9(15)8-6-13-14(5)7-8/h6-7H,12H2,1-5H3
InChIKeyISNRVEZLYLBNIA-UHFFFAOYSA-N
XLogP1.37
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-1-(1-methylpyrazol-4-yl)propan-1-one
CID 127017336
3-amino-3-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116580990
3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide
CID 65264942
fluoromethane;1-methylpyrazole-4-carboxamide
CID 158051819
1-methylpyrazole-4-carboxylate
CID 6979031
2-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82595197
(2S)-3,3-dimethyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 61143521
3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925
2-fluoro-3-(1-methylpyrazol-4-yl)but-2-enoic acid
CID 79728820
2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288784
(4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone
CID 65400880
2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 79190260

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one?
The IUPAC name of 3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one (CID 116573541) is 3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one?
The canonical SMILES for 3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one is Cn1cc(C(=O)C(C)(C)C(C)(C)N)cn1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one?
The InChIKey is ISNRVEZLYLBNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2,11(3,4)12)9(15)8-6-13-14(5)7-8/h6-7H,12H2,1-5H3.
What are the key properties of 3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one?
3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-1-(1-methylpyrazol-4-yl)butan-1-one is sourced from PubChem (CID 116573541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).