2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one

C11H19N3O — CID 116611379

IUPAC2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one
SMILESCCn1nccc1C(=O)C(N)C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-5-14-8(6-7-13-14)9(15)10(12)11(2,3)4/h6-7,10H,5,12H2,1-4H3
InChIKeyUIYYLVXYGXQIFZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.46
Rot. Bonds3

About 2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one

2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one (PubChem CID 116611379) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one
PubChem CID116611379
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one
SMILESCCn1nccc1C(=O)C(N)C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-5-14-8(6-7-13-14)9(15)10(12)11(2,3)4/h6-7,10H,5,12H2,1-4H3
InChIKeyUIYYLVXYGXQIFZ-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 116554556
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CID 116614577
2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one
CID 116592620
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CID 64540904
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2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one
CID 103447067
6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one
CID 116574759
1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one
CID 116746800
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
1-(2-ethylpyrazol-3-yl)ethenamine
CID 178160278
4-(2-aminoethyl)-1-(2-ethylpyrazol-3-yl)-5-methylhexan-1-one
CID 116577864
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CID 105100320

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one (CID 116611379) is 2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one is CCn1nccc1C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one?
The InChIKey is UIYYLVXYGXQIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-14-8(6-7-13-14)9(15)10(12)11(2,3)4/h6-7,10H,5,12H2,1-4H3.
What are the key properties of 2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one?
2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 116611379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).