1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one

C12H14N2O — CID 142106611

IUPAC1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one
SMILESCc1cccc(-c2cn(C)n(C)c2=O)c1
InChIInChI=1S/C12H14N2O/c1-9-5-4-6-10(7-9)11-8-13(2)14(3)12(11)15/h4-8H,1-3H3
InChIKeyLCWURGCHFHEXNM-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.70
Rot. Bonds1

About 1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one

1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one (PubChem CID 142106611) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one.

Molecular Properties

Compound Name1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one
PubChem CID142106611
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one
SMILESCc1cccc(-c2cn(C)n(C)c2=O)c1
InChIInChI=1S/C12H14N2O/c1-9-5-4-6-10(7-9)11-8-13(2)14(3)12(11)15/h4-8H,1-3H3
InChIKeyLCWURGCHFHEXNM-UHFFFAOYSA-N
XLogP1.70
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methyl-4-(3-methylphenyl)pyrrol-3-amine
CID 117223577
1-methyl-3-(3-methylphenyl)pyrrole-2-carbaldehyde
CID 83485250
2-iodo-1,3-bis(3-methylphenyl)benzene
CID 170072024
2-bromo-1,3-bis(3-methylphenyl)benzene
CID 3691341
2,3-bis(3-methylphenyl)fluoren-9-one
CID 102493573
2-methyl-4-(3-methylphenyl)-1H-diazete
CID 142472008
2,6-bis(3-methylphenyl)pyran-4-one
CID 73055523
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
7-iodo-3-(3-methylphenyl)pyrrolo[2,1-c][1,4]oxazin-1-one
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2-(3-methylphenyl)phenol
CID 11206198

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one?
The IUPAC name of 1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one (CID 142106611) is 1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one.
What is the SMILES notation for 1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one?
The canonical SMILES for 1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one is Cc1cccc(-c2cn(C)n(C)c2=O)c1.
What is the InChIKey of 1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one?
The InChIKey is LCWURGCHFHEXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-5-4-6-10(7-9)11-8-13(2)14(3)12(11)15/h4-8H,1-3H3.
What are the key properties of 1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one?
1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one has a molecular weight of 202.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one is sourced from PubChem (CID 142106611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).