3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid

C18H14Cl2N2O2 — CID 164620746

IUPAC3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C18H14Cl2N2O2/c19-13-8-12(9-14(20)10-13)17-11-15(6-7-18(23)24)21-22(17)16-4-2-1-3-5-16/h1-5,8-11H,6-7H2,(H,23,24)
InChIKeyGNRYFELIUOQAJQ-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.86
Rot. Bonds5

About 3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid

3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid (PubChem CID 164620746) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
PubChem CID164620746
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C18H14Cl2N2O2/c19-13-8-12(9-14(20)10-13)17-11-15(6-7-18(23)24)21-22(17)16-4-2-1-3-5-16/h1-5,8-11H,6-7H2,(H,23,24)
InChIKeyGNRYFELIUOQAJQ-UHFFFAOYSA-N
XLogP4.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid (CID 164620746) is 3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid is O=C(O)CCc1cc(-c2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1.
What is the InChIKey of 3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid?
The InChIKey is GNRYFELIUOQAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c19-13-8-12(9-14(20)10-13)17-11-15(6-7-18(23)24)21-22(17)16-4-2-1-3-5-16/h1-5,8-11H,6-7H2,(H,23,24).
What are the key properties of 3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid?
3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid has a molecular weight of 361.23 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid is sourced from PubChem (CID 164620746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).