1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone

C11H15N5O — CID 79744377

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)c1cnn(C)c1N
InChIInChI=1S/C11H15N5O/c1-3-16-5-4-13-10(16)6-9(17)8-7-14-15(2)11(8)12/h4-5,7H,3,6,12H2,1-2H3
InChIKeyLOTRFWHWVFZBAM-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.64
Rot. Bonds4

About 1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone

1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 79744377) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID79744377
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)c1cnn(C)c1N
InChIInChI=1S/C11H15N5O/c1-3-16-5-4-13-10(16)6-9(17)8-7-14-15(2)11(8)12/h4-5,7H,3,6,12H2,1-2H3
InChIKeyLOTRFWHWVFZBAM-UHFFFAOYSA-N
XLogP0.64
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116318
1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783601
2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065016
1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 107984553
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274194
1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783517
2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
CID 115783583
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanone
CID 105115236
1-(4-amino-3-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116547180
1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone
CID 65360423
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone (CID 79744377) is 1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)c1cnn(C)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is LOTRFWHWVFZBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-16-5-4-13-10(16)6-9(17)8-7-14-15(2)11(8)12/h4-5,7H,3,6,12H2,1-2H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone?
1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 233.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 79744377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).