5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one

C11H12N2O2 — CID 1260077

IUPAC5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one
SMILESCCOc1cccc(-c2cc(=O)[nH][nH]2)c1
InChIInChI=1S/C11H12N2O2/c1-2-15-9-5-3-4-8(6-9)10-7-11(14)13-12-10/h3-7H,2H2,1H3,(H2,12,13,14)
InChIKeyDAMLLBOPRSKKLY-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.77
Rot. Bonds3

About 5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one

5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one (PubChem CID 1260077) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one
PubChem CID1260077
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one
SMILESCCOc1cccc(-c2cc(=O)[nH][nH]2)c1
InChIInChI=1S/C11H12N2O2/c1-2-15-9-5-3-4-8(6-9)10-7-11(14)13-12-10/h3-7H,2H2,1H3,(H2,12,13,14)
InChIKeyDAMLLBOPRSKKLY-UHFFFAOYSA-N
XLogP1.77
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one (CID 1260077) is 5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one is CCOc1cccc(-c2cc(=O)[nH][nH]2)c1.
What is the InChIKey of 5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is DAMLLBOPRSKKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-9-5-3-4-8(6-9)10-7-11(14)13-12-10/h3-7H,2H2,1H3,(H2,12,13,14).
What are the key properties of 5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one?
5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyphenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 1260077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).