2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one

C12H14N2O2 — CID 140764063

IUPAC2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one
SMILESCC(C)Oc1ccccc1-n1ccc(=O)[nH]1
InChIInChI=1S/C12H14N2O2/c1-9(2)16-11-6-4-3-5-10(11)14-8-7-12(15)13-14/h3-9H,1-2H3,(H,13,15)
InChIKeyXXLLLRCJBOFOKT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.95
Rot. Bonds3

About 2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one

2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one (PubChem CID 140764063) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one
PubChem CID140764063
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one
SMILESCC(C)Oc1ccccc1-n1ccc(=O)[nH]1
InChIInChI=1S/C12H14N2O2/c1-9(2)16-11-6-4-3-5-10(11)14-8-7-12(15)13-14/h3-9H,1-2H3,(H,13,15)
InChIKeyXXLLLRCJBOFOKT-UHFFFAOYSA-N
XLogP1.95
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-chloro-2-propan-2-yloxybenzene;ethane
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1-(2-propan-2-yloxyphenyl)azetidin-3-amine
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3-hydroxy-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110581253
methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 168692995
1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one
CID 156814419
3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one
CID 106519316
tris(2-propan-2-yloxyphenyl)borane
CID 5017314
1-(2-propan-2-yloxyphenyl)sulfonylpiperazine
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CID 117007629

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one?
The IUPAC name of 2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one (CID 140764063) is 2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one is CC(C)Oc1ccccc1-n1ccc(=O)[nH]1.
What is the InChIKey of 2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one?
The InChIKey is XXLLLRCJBOFOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(2)16-11-6-4-3-5-10(11)14-8-7-12(15)13-14/h3-9H,1-2H3,(H,13,15).
What are the key properties of 2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one?
2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one has a molecular weight of 218.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyphenyl)-1H-pyrazol-5-one is sourced from PubChem (CID 140764063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).