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

C10H12N4O — CID 130502121

IUPAC1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2cnn(C)c2C)[nH]1
InChIInChI=1S/C10H12N4O/c1-6-8(4-12-14(6)3)10-11-5-9(13-10)7(2)15/h4-5H,1-3H3,(H,11,13)
InChIKeyGAWZFFSXNYPQHR-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.32
Rot. Bonds2

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

1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone (PubChem CID 130502121) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone
PubChem CID130502121
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2cnn(C)c2C)[nH]1
InChIInChI=1S/C10H12N4O/c1-6-8(4-12-14(6)3)10-11-5-9(13-10)7(2)15/h4-5H,1-3H3,(H,11,13)
InChIKeyGAWZFFSXNYPQHR-UHFFFAOYSA-N
XLogP1.32
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone?
The IUPAC name of 1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone (CID 130502121) is 1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone is CC(=O)c1cnc(-c2cnn(C)c2C)[nH]1.
What is the InChIKey of 1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone?
The InChIKey is GAWZFFSXNYPQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-8(4-12-14(6)3)10-11-5-9(13-10)7(2)15/h4-5H,1-3H3,(H,11,13).
What are the key properties of 1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone?
1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone has a molecular weight of 204.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone is sourced from PubChem (CID 130502121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).