1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone

C12H16N4O — CID 13361627

IUPAC1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone
SMILESCC(=O)n1cc(-n2ccnc2)c(C(C)(C)C)n1
InChIInChI=1S/C12H16N4O/c1-9(17)16-7-10(15-6-5-13-8-15)11(14-16)12(2,3)4/h5-8H,1-4H3
InChIKeyDAHNOCGOTWNXCR-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.03
Rot. Bonds1

About 1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone

1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone (PubChem CID 13361627) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone
PubChem CID13361627
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone
SMILESCC(=O)n1cc(-n2ccnc2)c(C(C)(C)C)n1
InChIInChI=1S/C12H16N4O/c1-9(17)16-7-10(15-6-5-13-8-15)11(14-16)12(2,3)4/h5-8H,1-4H3
InChIKeyDAHNOCGOTWNXCR-UHFFFAOYSA-N
XLogP2.03
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-4-imidazol-1-ylbenzoic acid
CID 84681695
1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone
CID 58654376
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
CID 37186383
1-[2-(trifluoromethylsulfonyl)phenyl]imidazole
CID 52855383
1-(2-imidazol-1-ylphenyl)propan-1-one
CID 18474619
4-bromo-3-imidazol-1-ylbenzoic acid
CID 84711748
tert-butyl (E)-3-(5-imidazol-1-yl-6-methoxy-2-pyridinyl)prop-2-enoate
CID 66839426
1-[4-(3-imidazol-1-yl-4-nitrophenyl)piperazin-1-yl]ethanone
CID 118952426
N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone
CID 91651100
1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone (CID 13361627) is 1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone is CC(=O)n1cc(-n2ccnc2)c(C(C)(C)C)n1.
What is the InChIKey of 1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone?
The InChIKey is DAHNOCGOTWNXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(17)16-7-10(15-6-5-13-8-15)11(14-16)12(2,3)4/h5-8H,1-4H3.
What are the key properties of 1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone?
1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone has a molecular weight of 232.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone is sourced from PubChem (CID 13361627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).