3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one

C10H14N4O — CID 103125761

IUPAC3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one
SMILESCc1nn(C)c(C)c1Cn1cc[nH]c1=O
InChIInChI=1S/C10H14N4O/c1-7-9(8(2)13(3)12-7)6-14-5-4-11-10(14)15/h4-5H,6H2,1-3H3,(H,11,15)
InChIKeyRHSNZUWVFXHGBX-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.58
Rot. Bonds2

About 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one

3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one (PubChem CID 103125761) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one
PubChem CID103125761
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one
SMILESCc1nn(C)c(C)c1Cn1cc[nH]c1=O
InChIInChI=1S/C10H14N4O/c1-7-9(8(2)13(3)12-7)6-14-5-4-11-10(14)15/h4-5H,6H2,1-3H3,(H,11,15)
InChIKeyRHSNZUWVFXHGBX-UHFFFAOYSA-N
XLogP0.58
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one?
The IUPAC name of 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one (CID 103125761) is 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one is Cc1nn(C)c(C)c1Cn1cc[nH]c1=O.
What is the InChIKey of 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one?
The InChIKey is RHSNZUWVFXHGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-9(8(2)13(3)12-7)6-14-5-4-11-10(14)15/h4-5H,6H2,1-3H3,(H,11,15).
What are the key properties of 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one?
3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one is sourced from PubChem (CID 103125761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).