ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate

C15H18N2O3 — CID 656965

IUPACethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)16-17(11(14)3)12-6-8-13(19-4)9-7-12/h6-9H,5H2,1-4H3
InChIKeyZDSXCFSUGVAQSB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.67
Rot. Bonds4

About ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate

ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate (PubChem CID 656965) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate
PubChem CID656965
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)16-17(11(14)3)12-6-8-13(19-4)9-7-12/h6-9H,5H2,1-4H3
InChIKeyZDSXCFSUGVAQSB-UHFFFAOYSA-N
XLogP2.67
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 656964
1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
CID 656966
3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 2329092
3,6-dimethyl-1-phenylpyrano[4,3-c]pyrazol-4(1H)-one
CID 648662
phenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate
CID 2740672
3,6-dimethyl-2-phenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 13584466
4-methylphenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate
CID 2740670
(3,5-Dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1000608
1-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 5169045
ethyl 3,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxylate
CID 23646848
5-Ethyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one
CID 700657
5-Methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester
CID 850682

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate (CID 656965) is ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(-c2ccc(OC)cc2)c1C.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate?
The InChIKey is ZDSXCFSUGVAQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)16-17(11(14)3)12-6-8-13(19-4)9-7-12/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate?
ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 656965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).