2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one

C10H17N3O — CID 116590216

IUPAC2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one
SMILESCCn1cc(C(=O)C(C)(N)CC)cn1
InChIInChI=1S/C10H17N3O/c1-4-10(3,11)9(14)8-6-12-13(5-2)7-8/h6-7H,4-5,11H2,1-3H3
InChIKeyARHXIOCPUDXDEG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.21
Rot. Bonds4

About 2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one

2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one (PubChem CID 116590216) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one
PubChem CID116590216
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one
SMILESCCn1cc(C(=O)C(C)(N)CC)cn1
InChIInChI=1S/C10H17N3O/c1-4-10(3,11)9(14)8-6-12-13(5-2)7-8/h6-7H,4-5,11H2,1-3H3
InChIKeyARHXIOCPUDXDEG-UHFFFAOYSA-N
XLogP1.21
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-1-one
CID 63891496
tert-butyl 1-ethylpyrazole-4-carboxylate
CID 175447582
2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 116592872
1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide
CID 75498992
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide
CID 75519336
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
CID 111484338
3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one
CID 116564365
(E)-4-(1-ethylpyrazol-4-yl)pent-3-en-2-one
CID 103970881

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one?
The IUPAC name of 2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one (CID 116590216) is 2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one is CCn1cc(C(=O)C(C)(N)CC)cn1.
What is the InChIKey of 2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one?
The InChIKey is ARHXIOCPUDXDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-10(3,11)9(14)8-6-12-13(5-2)7-8/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one?
2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one has a molecular weight of 195.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one is sourced from PubChem (CID 116590216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).