2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one

C12H18N4O — CID 14751163

IUPAC2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one
SMILESCc1cc(C2=NC(C)(C(C)C)C(=O)N2)n(C)n1
InChIInChI=1S/C12H18N4O/c1-7(2)12(4)11(17)13-10(14-12)9-6-8(3)15-16(9)5/h6-7H,1-5H3,(H,13,14,17)
InChIKeyXXFVSJUASWFTCM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.02
Rot. Bonds2

About 2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one

2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one (PubChem CID 14751163) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one
PubChem CID14751163
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one
SMILESCc1cc(C2=NC(C)(C(C)C)C(=O)N2)n(C)n1
InChIInChI=1S/C12H18N4O/c1-7(2)12(4)11(17)13-10(14-12)9-6-8(3)15-16(9)5/h6-7H,1-5H3,(H,13,14,17)
InChIKeyXXFVSJUASWFTCM-UHFFFAOYSA-N
XLogP1.02
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one (CID 14751163) is 2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one is Cc1cc(C2=NC(C)(C(C)C)C(=O)N2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The InChIKey is XXFVSJUASWFTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7(2)12(4)11(17)13-10(14-12)9-6-8(3)15-16(9)5/h6-7H,1-5H3,(H,13,14,17).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one has a molecular weight of 234.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 14751163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).