2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid

C21H16N2O3 — CID 555892

IUPAC2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C21H16N2O3/c24-19(25)14-17-20(15-8-3-1-4-9-15)22-23(16-10-5-2-6-11-16)21(17)18-12-7-13-26-18/h1-13H,14H2,(H,24,25)
InChIKeyZCQAYOKVVSWYNC-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.43
Rot. Bonds5

About 2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid

2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid (PubChem CID 555892) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid
PubChem CID555892
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C21H16N2O3/c24-19(25)14-17-20(15-8-3-1-4-9-15)22-23(16-10-5-2-6-11-16)21(17)18-12-7-13-26-18/h1-13H,14H2,(H,24,25)
InChIKeyZCQAYOKVVSWYNC-UHFFFAOYSA-N
XLogP4.43
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid (CID 555892) is 2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid is O=C(O)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccco1.
What is the InChIKey of 2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid?
The InChIKey is ZCQAYOKVVSWYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-19(25)14-17-20(15-8-3-1-4-9-15)22-23(16-10-5-2-6-11-16)21(17)18-12-7-13-26-18/h1-13H,14H2,(H,24,25).
What are the key properties of 2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid?
2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid has a molecular weight of 344.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 555892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).