1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid

C13H14N2O4 — CID 82361555

IUPAC1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid
SMILESCOCc1c(C(=O)O)cnn1-c1ccc(O)cc1C
InChIInChI=1S/C13H14N2O4/c1-8-5-9(16)3-4-11(8)15-12(7-19-2)10(6-14-15)13(17)18/h3-6,16H,7H2,1-2H3,(H,17,18)
InChIKeyIEVNVOPDWKTJOZ-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.73
Rot. Bonds4

About 1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid

1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid (PubChem CID 82361555) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid
PubChem CID82361555
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid
SMILESCOCc1c(C(=O)O)cnn1-c1ccc(O)cc1C
InChIInChI=1S/C13H14N2O4/c1-8-5-9(16)3-4-11(8)15-12(7-19-2)10(6-14-15)13(17)18/h3-6,16H,7H2,1-2H3,(H,17,18)
InChIKeyIEVNVOPDWKTJOZ-UHFFFAOYSA-N
XLogP1.73
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361615
5-(methoxymethyl)-1-(3-methylsulfanylphenyl)pyrazole-4-carboxylic acid
CID 82361584
1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361192
2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid
CID 82362615
1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361395
2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid
CID 84695435
5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82361151
1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361204
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361421
5-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 107736645
1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361205

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid (CID 82361555) is 1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid is COCc1c(C(=O)O)cnn1-c1ccc(O)cc1C.
What is the InChIKey of 1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid?
The InChIKey is IEVNVOPDWKTJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-5-9(16)3-4-11(8)15-12(7-19-2)10(6-14-15)13(17)18/h3-6,16H,7H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid?
1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).