3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid

C17H16N4O3 — CID 46918886

IUPAC3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid
SMILESCOc1ccc(-n2nc(CCC(=O)O)cc2-c2ccccc2)nn1
InChIInChI=1S/C17H16N4O3/c1-24-16-9-8-15(18-19-16)21-14(12-5-3-2-4-6-12)11-13(20-21)7-10-17(22)23/h2-6,8-9,11H,7,10H2,1H3,(H,22,23)
InChIKeyIMKXUFDVJQNMHV-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.36
Rot. Bonds6

About 3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid

3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid (PubChem CID 46918886) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid
PubChem CID46918886
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid
SMILESCOc1ccc(-n2nc(CCC(=O)O)cc2-c2ccccc2)nn1
InChIInChI=1S/C17H16N4O3/c1-24-16-9-8-15(18-19-16)21-14(12-5-3-2-4-6-12)11-13(20-21)7-10-17(22)23/h2-6,8-9,11H,7,10H2,1H3,(H,22,23)
InChIKeyIMKXUFDVJQNMHV-UHFFFAOYSA-N
XLogP2.36
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(6-chloropyridazin-3-yl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propanoic acid
CID 46918885
3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
CID 14497452
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide
CID 24850406
3-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]propanoic acid
CID 82159419
methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 69380330
1-(6-chloropyridazin-3-yl)-5-phenylpyrazole-3-carboxylic acid
CID 23090177
N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide
CID 67997432
3-[5-(3-iodophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid
CID 53318791
3-[1-(benzenesulfonyl)-5-methoxypyrrolo[3,2-b]pyridin-2-yl]propanoic acid
CID 68678689
1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid
CID 23143549
(5-phenyl-1-pyridin-2-ylpyrazol-3-yl)methanamine
CID 82071840
(4-pyrrol-1-ylphenyl) 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanoate
CID 56642149

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid (CID 46918886) is 3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid is COc1ccc(-n2nc(CCC(=O)O)cc2-c2ccccc2)nn1.
What is the InChIKey of 3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid?
The InChIKey is IMKXUFDVJQNMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-24-16-9-8-15(18-19-16)21-14(12-5-3-2-4-6-12)11-13(20-21)7-10-17(22)23/h2-6,8-9,11H,7,10H2,1H3,(H,22,23).
What are the key properties of 3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid?
3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid has a molecular weight of 324.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid is sourced from PubChem (CID 46918886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).