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

C16H19N5O — CID 70592031

IUPAC1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CC(N)N=C1c1cc(C)nn1-c1ccccc1C
InChIInChI=1S/C16H19N5O/c1-10-6-4-5-7-13(10)21-14(8-11(2)19-21)16-18-15(17)9-20(16)12(3)22/h4-8,15H,9,17H2,1-3H3
InChIKeyXXYDEPFVTBSXOA-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.38
Rot. Bonds2

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

1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 70592031) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID70592031
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CC(N)N=C1c1cc(C)nn1-c1ccccc1C
InChIInChI=1S/C16H19N5O/c1-10-6-4-5-7-13(10)21-14(8-11(2)19-21)16-18-15(17)9-20(16)12(3)22/h4-8,15H,9,17H2,1-3H3
InChIKeyXXYDEPFVTBSXOA-UHFFFAOYSA-N
XLogP1.38
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone (CID 70592031) is 1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone is CC(=O)N1CC(N)N=C1c1cc(C)nn1-c1ccccc1C.
What is the InChIKey of 1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is XXYDEPFVTBSXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-6-4-5-7-13(10)21-14(8-11(2)19-21)16-18-15(17)9-20(16)12(3)22/h4-8,15H,9,17H2,1-3H3.
What are the key properties of 1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone?
1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 297.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 70592031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).