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

C11H12N2O — CID 604685

IUPAC3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1c1ccc(C)cc1
InChIInChI=1S/C11H12N2O/c1-7-3-5-9(6-4-7)10-8(2)12-13-11(10)14/h3-6,10H,1-2H3,(H,13,14)
InChIKeyUDKOBAZSMCTISD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.58
Rot. Bonds1

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

3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one (PubChem CID 604685) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one
PubChem CID604685
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1c1ccc(C)cc1
InChIInChI=1S/C11H12N2O/c1-7-3-5-9(6-4-7)10-8(2)12-13-11(10)14/h3-6,10H,1-2H3,(H,13,14)
InChIKeyUDKOBAZSMCTISD-UHFFFAOYSA-N
XLogP1.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-methyl-4-[(4-methylphenyl)methyl]-1,4-dihydropyrazol-5-one
CID 98044997
3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 3687480
(4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one
CID 98120874
1-methyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 112598766
(5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 1484007
5-(4-methylphenyl)-5H-pyrimidin-2-one
CID 75973825
3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one
CID 175325758
6-(4-methylphenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136773890
2-(1-chloroethyl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione
CID 80656383
4-amino-5-(4-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79961557
6-bromo-4-(4-methylphenyl)-4H-1,2-benzoxazin-3-one
CID 175160471
(4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one
CID 98140955

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one (CID 604685) is 3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one is CC1=NNC(=O)C1c1ccc(C)cc1.
What is the InChIKey of 3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one?
The InChIKey is UDKOBAZSMCTISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-3-5-9(6-4-7)10-8(2)12-13-11(10)14/h3-6,10H,1-2H3,(H,13,14).
What are the key properties of 3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one?
3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one has a molecular weight of 188.23 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 604685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).