1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone

C12H17N5O — CID 107501634

IUPAC1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)c2cn(CCN)cn2)n(C)n1
InChIInChI=1S/C12H17N5O/c1-9-5-10(16(2)15-9)6-12(18)11-7-17(4-3-13)8-14-11/h5,7-8H,3-4,6,13H2,1-2H3
InChIKeyTVXZBLDZWMIWLI-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.31
Rot. Bonds5

About 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone

1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 107501634) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
PubChem CID107501634
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)c2cn(CCN)cn2)n(C)n1
InChIInChI=1S/C12H17N5O/c1-9-5-10(16(2)15-9)6-12(18)11-7-17(4-3-13)8-14-11/h5,7-8H,3-4,6,13H2,1-2H3
InChIKeyTVXZBLDZWMIWLI-UHFFFAOYSA-N
XLogP0.31
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105108355
pentyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499310
1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 107501507
1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 107501548
1-[1-(2-aminoethyl)imidazol-4-yl]hex-4-yn-1-one
CID 107501445
1-(4-amino-3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116609859
1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone
CID 107501388
[1-(2-aminoethyl)imidazol-4-yl]-(3-fluoro-5-methylphenyl)methanone
CID 107501248
1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978828
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone
CID 105108396
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone (CID 107501634) is 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone is Cc1cc(CC(=O)c2cn(CCN)cn2)n(C)n1.
What is the InChIKey of 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is TVXZBLDZWMIWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-5-10(16(2)15-9)6-12(18)11-7-17(4-3-13)8-14-11/h5,7-8H,3-4,6,13H2,1-2H3.
What are the key properties of 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone?
1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 247.30 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 107501634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).