2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid

C18H16N2O2 — CID 619059

IUPAC2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid
SMILESCc1nn(-c2ccccc2)c(-c2ccccc2)c1CC(=O)O
InChIInChI=1S/C18H16N2O2/c1-13-16(12-17(21)22)18(14-8-4-2-5-9-14)20(19-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,21,22)
InChIKeyGGNXUKNMTXCEDC-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.47
Rot. Bonds4

About 2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid

2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid (PubChem CID 619059) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid
PubChem CID619059
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid
SMILESCc1nn(-c2ccccc2)c(-c2ccccc2)c1CC(=O)O
InChIInChI=1S/C18H16N2O2/c1-13-16(12-17(21)22)18(14-8-4-2-5-9-14)20(19-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,21,22)
InChIKeyGGNXUKNMTXCEDC-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid (CID 619059) is 2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid is Cc1nn(-c2ccccc2)c(-c2ccccc2)c1CC(=O)O.
What is the InChIKey of 2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid?
The InChIKey is GGNXUKNMTXCEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-16(12-17(21)22)18(14-8-4-2-5-9-14)20(19-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of 2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid?
2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid has a molecular weight of 292.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,5-diphenylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 619059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).