3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid

C18H17N3O3 — CID 15169110

IUPAC3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid
SMILESCOc1ccc(-n2nc(CCC(=O)O)cc2-c2cccnc2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-16-7-5-15(6-8-16)21-17(13-3-2-10-19-12-13)11-14(20-21)4-9-18(22)23/h2-3,5-8,10-12H,4,9H2,1H3,(H,22,23)
InChIKeyXMHBVWDLHORFEJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.96
Rot. Bonds6

About 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid

3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid (PubChem CID 15169110) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid
PubChem CID15169110
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid
SMILESCOc1ccc(-n2nc(CCC(=O)O)cc2-c2cccnc2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-16-7-5-15(6-8-16)21-17(13-3-2-10-19-12-13)11-14(20-21)4-9-18(22)23/h2-3,5-8,10-12H,4,9H2,1H3,(H,22,23)
InChIKeyXMHBVWDLHORFEJ-UHFFFAOYSA-N
XLogP2.96
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid (CID 15169110) is 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid is COc1ccc(-n2nc(CCC(=O)O)cc2-c2cccnc2)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid?
The InChIKey is XMHBVWDLHORFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-16-7-5-15(6-8-16)21-17(13-3-2-10-19-12-13)11-14(20-21)4-9-18(22)23/h2-3,5-8,10-12H,4,9H2,1H3,(H,22,23).
What are the key properties of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid?
3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid has a molecular weight of 323.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid is sourced from PubChem (CID 15169110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).