2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone

C12H21N3O2 — CID 114670105

IUPAC2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
SMILESCCn1ncc(OC)c1C(=O)CNC(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-6-15-11(10(17-5)8-14-15)9(16)7-13-12(2,3)4/h8,13H,6-7H2,1-5H3
InChIKeyPGRSEPQPPODZFV-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.48
Rot. Bonds5

About 2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone

2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone (PubChem CID 114670105) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
PubChem CID114670105
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
SMILESCCn1ncc(OC)c1C(=O)CNC(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-6-15-11(10(17-5)8-14-15)9(16)7-13-12(2,3)4/h8,13H,6-7H2,1-5H3
InChIKeyPGRSEPQPPODZFV-UHFFFAOYSA-N
XLogP1.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114670106
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
CID 114671046
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114642639
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214416
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639766
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one
CID 114671018
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 114641168
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114639632
3-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)pent-2-en-1-one
CID 103458666
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638771
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(thian-4-yl)ethanone
CID 105133121

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone (CID 114670105) is 2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone is CCn1ncc(OC)c1C(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone?
The InChIKey is PGRSEPQPPODZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-6-15-11(10(17-5)8-14-15)9(16)7-13-12(2,3)4/h8,13H,6-7H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone?
2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone has a molecular weight of 239.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone is sourced from PubChem (CID 114670105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).