2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one

C12H14N2O — CID 112656236

IUPAC2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one
SMILESCc1cc(C)c(N2N=CCC2=O)c(C)c1
InChIInChI=1S/C12H14N2O/c1-8-6-9(2)12(10(3)7-8)14-11(15)4-5-13-14/h5-7H,4H2,1-3H3
InChIKeyFQNWKMMXBILIHU-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.33
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one

2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one (PubChem CID 112656236) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one
PubChem CID112656236
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one
SMILESCc1cc(C)c(N2N=CCC2=O)c(C)c1
InChIInChI=1S/C12H14N2O/c1-8-6-9(2)12(10(3)7-8)14-11(15)4-5-13-14/h5-7H,4H2,1-3H3
InChIKeyFQNWKMMXBILIHU-UHFFFAOYSA-N
XLogP2.33
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-methyl-5-(5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
CID 20575910
4,5-dimethyl-2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one
CID 55120669
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one
CID 101485045
1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one
CID 117013590
2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one
CID 70107181
3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 14181830
2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 50873042
(5R)-5-methyl-3-(2,4,6-trimethylphenyl)imidazolidine-2,4-dione
CID 131844727
2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
CID 1227222
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 43844516
1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-3-ium-2-id-5-one
CID 139184096

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one?
The IUPAC name of 2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one (CID 112656236) is 2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one is Cc1cc(C)c(N2N=CCC2=O)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one?
The InChIKey is FQNWKMMXBILIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-6-9(2)12(10(3)7-8)14-11(15)4-5-13-14/h5-7H,4H2,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one?
2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one has a molecular weight of 202.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 112656236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).