1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid

C12H12N2O4 — CID 82362040

IUPAC1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
SMILESCOCc1cc(C(=O)O)nn1-c1ccc(O)cc1
InChIInChI=1S/C12H12N2O4/c1-18-7-9-6-11(12(16)17)13-14(9)8-2-4-10(15)5-3-8/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeySSLSYLKKXHIZRR-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.42
Rot. Bonds4

About 1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid

1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid (PubChem CID 82362040) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
PubChem CID82362040
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
SMILESCOCc1cc(C(=O)O)nn1-c1ccc(O)cc1
InChIInChI=1S/C12H12N2O4/c1-18-7-9-6-11(12(16)17)13-14(9)8-2-4-10(15)5-3-8/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeySSLSYLKKXHIZRR-UHFFFAOYSA-N
XLogP1.42
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362057
1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362041
1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid
CID 83864577
1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361807
methyl 4-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate
CID 162378113
5-butyl-1-[4-(dimethylamino)phenyl]pyrazole-3-carboxylic acid
CID 82361852
5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 82115800
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82089498
1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82093379
1-(4-methoxycarbonylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82361682
5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid
CID 82589309
5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82090734

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid (CID 82362040) is 1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid is COCc1cc(C(=O)O)nn1-c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid?
The InChIKey is SSLSYLKKXHIZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-18-7-9-6-11(12(16)17)13-14(9)8-2-4-10(15)5-3-8/h2-6,15H,7H2,1H3,(H,16,17).
What are the key properties of 1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid?
1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82362040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).