5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid

C13H14N2O4 — CID 82090734

IUPAC5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(OCc2cc(C(=O)O)nn2C)cc1
InChIInChI=1S/C13H14N2O4/c1-15-9(7-12(14-15)13(16)17)8-19-11-5-3-10(18-2)4-6-11/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyCWGAVKNMQSUODB-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.71
Rot. Bonds5

About 5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid

5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 82090734) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID82090734
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(OCc2cc(C(=O)O)nn2C)cc1
InChIInChI=1S/C13H14N2O4/c1-15-9(7-12(14-15)13(16)17)8-19-11-5-3-10(18-2)4-6-11/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyCWGAVKNMQSUODB-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,4-difluorophenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82092504
5-[(3,5-dimethylphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82090132
5-[(2-hydroxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 117217155
1-methyl-5-[(2,4,5-trimethylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 82093641
5-[(4-methoxyphenoxy)methyl]-1-methyl-3-nitropyrazole
CID 71833040
1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid
CID 117217154
1-ethyl-5-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 117217340
1-methyl-5-(sulfanylmethyl)pyrazole-3-carboxylic acid
CID 117217191
5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998006
1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid
CID 117217130
5-(4-chlorobutyl)-1-methylpyrazole-3-carboxylic acid
CID 66958663
2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid
CID 117188427

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid (CID 82090734) is 5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid is COc1ccc(OCc2cc(C(=O)O)nn2C)cc1.
What is the InChIKey of 5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is CWGAVKNMQSUODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15-9(7-12(14-15)13(16)17)8-19-11-5-3-10(18-2)4-6-11/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid?
5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82090734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).