1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one

C12H20N4O2 — CID 118200108

IUPAC1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one
SMILESCC1NC(=O)N(c2cc(C(C)(C)C)n(C)n2)C1O
InChIInChI=1S/C12H20N4O2/c1-7-10(17)16(11(18)13-7)9-6-8(12(2,3)4)15(5)14-9/h6-7,10,17H,1-5H3,(H,13,18)
InChIKeyQIFJNNAEXCHRQW-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.95
Rot. Bonds1

About 1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one

1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one (PubChem CID 118200108) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one
PubChem CID118200108
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one
SMILESCC1NC(=O)N(c2cc(C(C)(C)C)n(C)n2)C1O
InChIInChI=1S/C12H20N4O2/c1-7-10(17)16(11(18)13-7)9-6-8(12(2,3)4)15(5)14-9/h6-7,10,17H,1-5H3,(H,13,18)
InChIKeyQIFJNNAEXCHRQW-UHFFFAOYSA-N
XLogP0.95
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-N'-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72837841
1-[2-(Dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea
CID 75500177
(3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide
CID 164640824
3-[5-(1,1-Difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
CID 123251120
1-[5-(1,1-Difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
CID 123352342
1-[5-(1,1-Difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one
CID 123885045
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide
CID 109967873
(4R)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
CID 162595825
(4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
CID 162595826
N-(3-(tert-butyl)-1-(2-hydroxyethyl)-1H-pyrazol-5-yl)-2-ethoxyacetamide
CID 49670760
1-[3-(2,2-Dimethylpropyl)-1-methylpyrazol-5-yl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 72117659
N-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 118766889

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one?
The IUPAC name of 1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one (CID 118200108) is 1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one is CC1NC(=O)N(c2cc(C(C)(C)C)n(C)n2)C1O.
What is the InChIKey of 1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one?
The InChIKey is QIFJNNAEXCHRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7-10(17)16(11(18)13-7)9-6-8(12(2,3)4)15(5)14-9/h6-7,10,17H,1-5H3,(H,13,18).
What are the key properties of 1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one?
1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one has a molecular weight of 252.32 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1-methylpyrazol-3-yl)-5-hydroxy-4-methylimidazolidin-2-one is sourced from PubChem (CID 118200108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).