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

C18H18ClN3O3 — CID 67857336

IUPAC3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid;hydrochloride
SMILESCOc1ccc(-n2nc(CCC(=O)O)cc2-c2cccnc2)cc1.Cl
InChIInChI=1S/C18H17N3O3.ClH/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);1H
InChIKeyLYERRABIKQNRIX-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.38
Rot. Bonds6

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

3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid;hydrochloride (PubChem CID 67857336) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid;hydrochloride
PubChem CID67857336
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid;hydrochloride
SMILESCOc1ccc(-n2nc(CCC(=O)O)cc2-c2cccnc2)cc1.Cl
InChIInChI=1S/C18H17N3O3.ClH/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);1H
InChIKeyLYERRABIKQNRIX-UHFFFAOYSA-N
XLogP3.38
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.38
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;hydrochloride?
The IUPAC name of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid;hydrochloride (CID 67857336) is 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid;hydrochloride is COc1ccc(-n2nc(CCC(=O)O)cc2-c2cccnc2)cc1.Cl.
What is the InChIKey of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid;hydrochloride?
The InChIKey is LYERRABIKQNRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3.ClH/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);1H.
What are the key properties of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid;hydrochloride?
3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid;hydrochloride has a molecular weight of 359.81 g/mol, XLogP of 3.38, 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;hydrochloride is sourced from PubChem (CID 67857336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).