3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one

C11H19N3O — CID 116560245

IUPAC3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
SMILESCCn1nc(C)cc1CC(=O)C(C)(C)N
InChIInChI=1S/C11H19N3O/c1-5-14-9(6-8(2)13-14)7-10(15)11(3,4)12/h6H,5,7,12H2,1-4H3
InChIKeyOKVNEZULEAHENO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.06
Rot. Bonds4

About 3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one

3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one (PubChem CID 116560245) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
PubChem CID116560245
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
SMILESCCn1nc(C)cc1CC(=O)C(C)(C)N
InChIInChI=1S/C11H19N3O/c1-5-14-9(6-8(2)13-14)7-10(15)11(3,4)12/h6H,5,7,12H2,1-4H3
InChIKeyOKVNEZULEAHENO-UHFFFAOYSA-N
XLogP1.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 115779757
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone
CID 105111985
1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118
2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487287
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115779721
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one
CID 103447537
4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 115345651
1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine
CID 66224006
2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 115779676
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid
CID 83149292
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554959

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one?
The IUPAC name of 3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one (CID 116560245) is 3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one.
What is the SMILES notation for 3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one?
The canonical SMILES for 3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one is CCn1nc(C)cc1CC(=O)C(C)(C)N.
What is the InChIKey of 3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one?
The InChIKey is OKVNEZULEAHENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-14-9(6-8(2)13-14)7-10(15)11(3,4)12/h6H,5,7,12H2,1-4H3.
What are the key properties of 3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one?
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one is sourced from PubChem (CID 116560245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).