ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate

C15H18N2O2 — CID 54491280

IUPACethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C)c(C)c1-c1ccccc1C
InChIInChI=1S/C15H18N2O2/c1-5-19-15(18)14-13(11(3)17(4)16-14)12-9-7-6-8-10(12)2/h6-9H,5H2,1-4H3
InChIKeyXVWZIDUSBBDLBD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.88
Rot. Bonds3

About ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate

ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate (PubChem CID 54491280) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate
PubChem CID54491280
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C)c(C)c1-c1ccccc1C
InChIInChI=1S/C15H18N2O2/c1-5-19-15(18)14-13(11(3)17(4)16-14)12-9-7-6-8-10(12)2/h6-9H,5H2,1-4H3
InChIKeyXVWZIDUSBBDLBD-UHFFFAOYSA-N
XLogP2.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-4-(2-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylate
CID 118654965
ethyl 5-methyl-2-(2-methylphenyl)triazole-4-carboxylate
CID 50873970
ethyl 1,5-dimethyl-4-(thiophen-2-ylmethyl)pyrazole-3-carboxylate
CID 166101775
ethyl 2-methyl-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxylate
CID 90397805
ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 66008471
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 4-(2-fluorophenyl)-2-methyl-3,5-dioxo-1,2,4-triazine-6-carboxylate
CID 118655209
ethyl 4-fluoro-1-methyl-5-phenylsulfanylpyrazole-3-carboxylate
CID 102407022
5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one
CID 58092176
ethyl 1,5-dimethyltriazole-4-carboxylate
CID 14969764
ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate
CID 89128623

Frequently Asked Questions

What is the IUPAC name of ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate (CID 54491280) is ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate is CCOC(=O)c1nn(C)c(C)c1-c1ccccc1C.
What is the InChIKey of ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate?
The InChIKey is XVWZIDUSBBDLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-5-19-15(18)14-13(11(3)17(4)16-14)12-9-7-6-8-10(12)2/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate?
ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 54491280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).