methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate

C17H22N2O4 — CID 178145941

IUPACmethyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C(C)C)c(OC)cc2OC)n(C)n1
InChIInChI=1S/C17H22N2O4/c1-10(2)11-7-12(16(22-5)9-15(11)21-4)14-8-13(17(20)23-6)18-19(14)3/h7-10H,1-6H3
InChIKeyJQDPYBGXSLDFIM-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.01
Rot. Bonds5

About methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate

methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate (PubChem CID 178145941) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate
PubChem CID178145941
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C(C)C)c(OC)cc2OC)n(C)n1
InChIInChI=1S/C17H22N2O4/c1-10(2)11-7-12(16(22-5)9-15(11)21-4)14-8-13(17(20)23-6)18-19(14)3/h7-10H,1-6H3
InChIKeyJQDPYBGXSLDFIM-UHFFFAOYSA-N
XLogP3.01
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118130839
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 118562617
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593
methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118192267
5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 110336747
1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128496
5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 68642030
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117469018
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
5-(3-chloro-4-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117493585
5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117475284

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate (CID 178145941) is methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate is COC(=O)c1cc(-c2cc(C(C)C)c(OC)cc2OC)n(C)n1.
What is the InChIKey of methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate?
The InChIKey is JQDPYBGXSLDFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-10(2)11-7-12(16(22-5)9-15(11)21-4)14-8-13(17(20)23-6)18-19(14)3/h7-10H,1-6H3.
What are the key properties of methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate?
methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 178145941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).