5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one

C11H12N2O — CID 604735

IUPAC5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one
SMILESCc1ccc(-c2cc(=O)[nH][nH]2)c(C)c1
InChIInChI=1S/C11H12N2O/c1-7-3-4-9(8(2)5-7)10-6-11(14)13-12-10/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyOODUMHPKISUOEG-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.99
Rot. Bonds1

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

5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one (PubChem CID 604735) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one
PubChem CID604735
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one
SMILESCc1ccc(-c2cc(=O)[nH][nH]2)c(C)c1
InChIInChI=1S/C11H12N2O/c1-7-3-4-9(8(2)5-7)10-6-11(14)13-12-10/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyOODUMHPKISUOEG-UHFFFAOYSA-N
XLogP1.99
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one (CID 604735) is 5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one is Cc1ccc(-c2cc(=O)[nH][nH]2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is OODUMHPKISUOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-3-4-9(8(2)5-7)10-6-11(14)13-12-10/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of 5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one?
5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 188.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 604735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).