2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid

C24H20N2O2 — CID 20542676

IUPAC2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid
SMILESCc1nn(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)c1CC(=O)O
InChIInChI=1S/C24H20N2O2/c1-17-22(16-23(27)28)24(20-10-6-3-7-11-20)26(25-17)21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,27,28)
InChIKeySCVOHMIYFUPVEY-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.14
Rot. Bonds5

About 2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid

2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid (PubChem CID 20542676) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid
PubChem CID20542676
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid
SMILESCc1nn(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)c1CC(=O)O
InChIInChI=1S/C24H20N2O2/c1-17-22(16-23(27)28)24(20-10-6-3-7-11-20)26(25-17)21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,27,28)
InChIKeySCVOHMIYFUPVEY-UHFFFAOYSA-N
XLogP5.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid (CID 20542676) is 2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid is Cc1nn(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)c1CC(=O)O.
What is the InChIKey of 2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid?
The InChIKey is SCVOHMIYFUPVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-17-22(16-23(27)28)24(20-10-6-3-7-11-20)26(25-17)21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,27,28).
What are the key properties of 2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid?
2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid has a molecular weight of 368.44 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-phenyl-1-(4-phenylphenyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 20542676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).