5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one

C12H14N2O — CID 6920305

IUPAC5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one
SMILESCc1ccccc1Cc1c(C)[nH][nH]c1=O
InChIInChI=1S/C12H14N2O/c1-8-5-3-4-6-10(8)7-11-9(2)13-14-12(11)15/h3-6H,7H2,1-2H3,(H2,13,14,15)
InChIKeyCXGLTMSXCRZROG-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.91
Rot. Bonds2

About 5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one

5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one (PubChem CID 6920305) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one
PubChem CID6920305
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one
SMILESCc1ccccc1Cc1c(C)[nH][nH]c1=O
InChIInChI=1S/C12H14N2O/c1-8-5-3-4-6-10(8)7-11-9(2)13-14-12(11)15/h3-6H,7H2,1-2H3,(H2,13,14,15)
InChIKeyCXGLTMSXCRZROG-UHFFFAOYSA-N
XLogP1.91
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one (CID 6920305) is 5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one is Cc1ccccc1Cc1c(C)[nH][nH]c1=O.
What is the InChIKey of 5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one?
The InChIKey is CXGLTMSXCRZROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-5-3-4-6-10(8)7-11-9(2)13-14-12(11)15/h3-6H,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one?
5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 202.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-methylphenyl)methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 6920305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).