4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one

C11H12N2O2 — CID 68573583

IUPAC4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2c(C)[nH][nH]c2=O)cc1
InChIInChI=1S/C11H12N2O2/c1-7-10(11(14)13-12-7)8-3-5-9(15-2)6-4-8/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyFSLDDRYKRKSRHM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.69
Rot. Bonds2

About 4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one

4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 68573583) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID68573583
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2c(C)[nH][nH]c2=O)cc1
InChIInChI=1S/C11H12N2O2/c1-7-10(11(14)13-12-7)8-3-5-9(15-2)6-4-8/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyFSLDDRYKRKSRHM-UHFFFAOYSA-N
XLogP1.69
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one (CID 68573583) is 4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one is COc1ccc(-c2c(C)[nH][nH]c2=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is FSLDDRYKRKSRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-10(11(14)13-12-7)8-3-5-9(15-2)6-4-8/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one?
4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 68573583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).