4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid

C12H12N2O4 — CID 117233112

IUPAC4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1ccc(-n2ncc(OC)c2C(=O)O)cc1
InChIInChI=1S/C12H12N2O4/c1-17-9-5-3-8(4-6-9)14-11(12(15)16)10(18-2)7-13-14/h3-7H,1-2H3,(H,15,16)
InChIKeyGFMXPSGJAMNRRB-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.59
Rot. Bonds4

About 4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid

4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid (PubChem CID 117233112) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
PubChem CID117233112
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1ccc(-n2ncc(OC)c2C(=O)O)cc1
InChIInChI=1S/C12H12N2O4/c1-17-9-5-3-8(4-6-9)14-11(12(15)16)10(18-2)7-13-14/h3-7H,1-2H3,(H,15,16)
InChIKeyGFMXPSGJAMNRRB-UHFFFAOYSA-N
XLogP1.59
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid (CID 117233112) is 4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid is COc1ccc(-n2ncc(OC)c2C(=O)O)cc1.
What is the InChIKey of 4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The InChIKey is GFMXPSGJAMNRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-17-9-5-3-8(4-6-9)14-11(12(15)16)10(18-2)7-13-14/h3-7H,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117233112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).