1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone

C12H19N5O — CID 12763787

IUPAC1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CCN=C1Nc1cc(C(C)C)nn1C
InChIInChI=1S/C12H19N5O/c1-8(2)10-7-11(16(4)15-10)14-12-13-5-6-17(12)9(3)18/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyZJTGWFWHLAIQMW-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.17
Rot. Bonds2

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

1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 12763787) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID12763787
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CCN=C1Nc1cc(C(C)C)nn1C
InChIInChI=1S/C12H19N5O/c1-8(2)10-7-11(16(4)15-10)14-12-13-5-6-17(12)9(3)18/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyZJTGWFWHLAIQMW-UHFFFAOYSA-N
XLogP1.17
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone (CID 12763787) is 1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone is CC(=O)N1CCN=C1Nc1cc(C(C)C)nn1C.
What is the InChIKey of 1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is ZJTGWFWHLAIQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8(2)10-7-11(16(4)15-10)14-12-13-5-6-17(12)9(3)18/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone?
1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 249.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 12763787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).