1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone

C11H17N5O — CID 12763792

IUPAC1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CCN=C1Nc1c(C)c(C)nn1C
InChIInChI=1S/C11H17N5O/c1-7-8(2)14-15(4)10(7)13-11-12-5-6-16(11)9(3)17/h5-6H2,1-4H3,(H,12,13)
InChIKeyORVNSRYHIMPVBE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.67
Rot. Bonds1

About 1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone

1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 12763792) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID12763792
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CCN=C1Nc1c(C)c(C)nn1C
InChIInChI=1S/C11H17N5O/c1-7-8(2)14-15(4)10(7)13-11-12-5-6-16(11)9(3)17/h5-6H2,1-4H3,(H,12,13)
InChIKeyORVNSRYHIMPVBE-UHFFFAOYSA-N
XLogP0.67
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone (CID 12763792) is 1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone is CC(=O)N1CCN=C1Nc1c(C)c(C)nn1C.
What is the InChIKey of 1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is ORVNSRYHIMPVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-8(2)14-15(4)10(7)13-11-12-5-6-16(11)9(3)17/h5-6H2,1-4H3,(H,12,13).
What are the key properties of 1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone?
1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 235.29 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4,5-trimethylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 12763792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).