3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid

C15H12N2O3S — CID 63335925

IUPAC3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H12N2O3S/c18-15(19)14-13(7-9-21-14)20-10-11-6-8-17(16-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,19)
InChIKeyHWWMVOJIHNIMPD-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.21
Rot. Bonds5

About 3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid

3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 63335925) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID63335925
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H12N2O3S/c18-15(19)14-13(7-9-21-14)20-10-11-6-8-17(16-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,19)
InChIKeyHWWMVOJIHNIMPD-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid (CID 63335925) is 3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid is O=C(O)c1sccc1OCc1ccn(-c2ccccc2)n1.
What is the InChIKey of 3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is HWWMVOJIHNIMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-15(19)14-13(7-9-21-14)20-10-11-6-8-17(16-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,19).
What are the key properties of 3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid?
3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63335925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).