methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate

C15H18N2O2 — CID 55120572

IUPACmethyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)n(-c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C15H18N2O2/c1-9-6-10(2)14(11(3)7-9)17-12(4)8-13(16-17)15(18)19-5/h6-8H,1-5H3
InChIKeyIHXCVBBBNJVWDV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.89
Rot. Bonds2

About methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate

methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate (PubChem CID 55120572) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate
PubChem CID55120572
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)n(-c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C15H18N2O2/c1-9-6-10(2)14(11(3)7-9)17-12(4)8-13(16-17)15(18)19-5/h6-8H,1-5H3
InChIKeyIHXCVBBBNJVWDV-UHFFFAOYSA-N
XLogP2.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate (CID 55120572) is methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate is COC(=O)c1cc(C)n(-c2c(C)cc(C)cc2C)n1.
What is the InChIKey of methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate?
The InChIKey is IHXCVBBBNJVWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-6-10(2)14(11(3)7-9)17-12(4)8-13(16-17)15(18)19-5/h6-8H,1-5H3.
What are the key properties of methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate?
methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 55120572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).