4-methoxy-1-phenylpyrazole-3-carboxylic acid

C11H10N2O3 — CID 4962236

IUPAC4-methoxy-1-phenylpyrazole-3-carboxylic acid
SMILESCOc1cn(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C11H10N2O3/c1-16-9-7-13(12-10(9)11(14)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChIKeyPIHGVXDRIJINMH-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.58
Rot. Bonds3

About 4-methoxy-1-phenylpyrazole-3-carboxylic acid

4-methoxy-1-phenylpyrazole-3-carboxylic acid (PubChem CID 4962236) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-methoxy-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-phenylpyrazole-3-carboxylic acid
PubChem CID4962236
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-methoxy-1-phenylpyrazole-3-carboxylic acid
SMILESCOc1cn(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C11H10N2O3/c1-16-9-7-13(12-10(9)11(14)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChIKeyPIHGVXDRIJINMH-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 4-methoxy-1-phenylpyrazole-3-carboxylic acid (CID 4962236) is 4-methoxy-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-methoxy-1-phenylpyrazole-3-carboxylic acid is COc1cn(-c2ccccc2)nc1C(=O)O.
What is the InChIKey of 4-methoxy-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is PIHGVXDRIJINMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-9-7-13(12-10(9)11(14)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15).
What are the key properties of 4-methoxy-1-phenylpyrazole-3-carboxylic acid?
4-methoxy-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 4962236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).