3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one

C10H10N2O2 — CID 605366

IUPAC3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one
SMILESCOc1ccc(C2=NNC(=O)C2)cc1
InChIInChI=1S/C10H10N2O2/c1-14-8-4-2-7(3-5-8)9-6-10(13)12-11-9/h2-5H,6H2,1H3,(H,12,13)
InChIKeyQOOURZOOVQWRCB-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.92
Rot. Bonds2

About 3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one

3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one (PubChem CID 605366) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one
PubChem CID605366
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one
SMILESCOc1ccc(C2=NNC(=O)C2)cc1
InChIInChI=1S/C10H10N2O2/c1-14-8-4-2-7(3-5-8)9-6-10(13)12-11-9/h2-5H,6H2,1H3,(H,12,13)
InChIKeyQOOURZOOVQWRCB-UHFFFAOYSA-N
XLogP0.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one
CID 4778793
3-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrazol-5-one
CID 22353179
4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one
CID 162369806
N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide
CID 168654344
2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide
CID 101148243
5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
CID 15145018
[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl] acetate
CID 70432835
3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 10489002
3-(4-methoxyphenyl)-1,4,5,6-tetrahydropyridazine
CID 10702855
3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one
CID 141280277
3-[3-(difluoromethoxy)phenyl]-1,4-dihydropyrazol-5-one
CID 114763691
3-[3,5-bis(trifluoromethyl)phenyl]-1,4-dihydropyrazol-5-one
CID 114763706

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one (CID 605366) is 3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one is COc1ccc(C2=NNC(=O)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one?
The InChIKey is QOOURZOOVQWRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-8-4-2-7(3-5-8)9-6-10(13)12-11-9/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one?
3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one has a molecular weight of 190.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 605366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).