5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one

C15H16N4O — CID 11852694

IUPAC5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(C)cc2)C(=O)C1c1cc(C)[nH]n1
InChIInChI=1S/C15H16N4O/c1-9-4-6-12(7-5-9)19-15(20)14(11(3)18-19)13-8-10(2)16-17-13/h4-8,14H,1-3H3,(H,16,17)
InChIKeyFCVKPEJNCPPRDL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.53
Rot. Bonds2

About 5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one

5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one (PubChem CID 11852694) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
PubChem CID11852694
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(C)cc2)C(=O)C1c1cc(C)[nH]n1
InChIInChI=1S/C15H16N4O/c1-9-4-6-12(7-5-9)19-15(20)14(11(3)18-19)13-8-10(2)16-17-13/h4-8,14H,1-3H3,(H,16,17)
InChIKeyFCVKPEJNCPPRDL-UHFFFAOYSA-N
XLogP2.53
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
CID 11852791
2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
CID 11853010
4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 54217686
4-[2-amino-6-(4-hydroxyphenyl)pyrimidin-4-yl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 171345780
5-methyl-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-(3-methylphenyl)methyl]-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 139839318
(4R)-5-methyl-4-[[(4R)-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-phenylmethyl]-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 98152479
4-iodo-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 43835372
2-(4-methylphenyl)-3a,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 83863836
4-[3-[4-(1,1-difluoroethyl)phenyl]-1H-1,2,4-triazol-5-yl]-2-[4-(difluoromethoxy)phenyl]-5-methyl-4H-pyrazol-3-one
CID 155721457
2-(3-aminophenyl)-4,5-dimethyl-4H-pyrazol-3-one
CID 60996104
(4S)-2-(4-chlorophenyl)-4-ethyl-5-methyl-4H-pyrazol-3-one
CID 1202306
N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide
CID 63820246

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one (CID 11852694) is 5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one is CC1=NN(c2ccc(C)cc2)C(=O)C1c1cc(C)[nH]n1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one?
The InChIKey is FCVKPEJNCPPRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-4-6-12(7-5-9)19-15(20)14(11(3)18-19)13-8-10(2)16-17-13/h4-8,14H,1-3H3,(H,16,17).
What are the key properties of 5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one?
5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one has a molecular weight of 268.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one is sourced from PubChem (CID 11852694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).