2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one

C11H19N3O — CID 116592620

IUPAC2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one
SMILESCCn1nccc1C(=O)C(N)(CC)CC
InChIInChI=1S/C11H19N3O/c1-4-11(12,5-2)10(15)9-7-8-13-14(9)6-3/h7-8H,4-6,12H2,1-3H3
InChIKeyHSXTZRZEDMSLPT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one

2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one (PubChem CID 116592620) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one
PubChem CID116592620
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one
SMILESCCn1nccc1C(=O)C(N)(CC)CC
InChIInChI=1S/C11H19N3O/c1-4-11(12,5-2)10(15)9-7-8-13-14(9)6-3/h7-8H,4-6,12H2,1-3H3
InChIKeyHSXTZRZEDMSLPT-UHFFFAOYSA-N
XLogP1.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103447067
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CID 116746800
2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one
CID 63975916
2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one
CID 116611379
1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79045435
6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one
CID 116574759
1-(2-ethylpyrazol-3-yl)ethenamine
CID 178160278
2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 114972349
2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 103447030
1-(2-ethylpyrazol-3-yl)-3-methylsulfanylpropan-1-one
CID 105100320
2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one
CID 116554556
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CID 116614577

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one?
The IUPAC name of 2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one (CID 116592620) is 2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one is CCn1nccc1C(=O)C(N)(CC)CC.
What is the InChIKey of 2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one?
The InChIKey is HSXTZRZEDMSLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-11(12,5-2)10(15)9-7-8-13-14(9)6-3/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one?
2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 116592620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).