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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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).