2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid

C16H20N2O2 — CID 82488578

IUPAC2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid
SMILESCc1cc(C)c(C)c(-c2n[nH]c(C)c2CC(=O)O)c1C
InChIInChI=1S/C16H20N2O2/c1-8-6-9(2)11(4)15(10(8)3)16-13(7-14(19)20)12(5)17-18-16/h6H,7H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyFQUGDFOHRWYXBN-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.25
Rot. Bonds3

About 2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid

2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid (PubChem CID 82488578) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid
PubChem CID82488578
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid
SMILESCc1cc(C)c(C)c(-c2n[nH]c(C)c2CC(=O)O)c1C
InChIInChI=1S/C16H20N2O2/c1-8-6-9(2)11(4)15(10(8)3)16-13(7-14(19)20)12(5)17-18-16/h6H,7H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyFQUGDFOHRWYXBN-UHFFFAOYSA-N
XLogP3.25
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid (CID 82488578) is 2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid is Cc1cc(C)c(C)c(-c2n[nH]c(C)c2CC(=O)O)c1C.
What is the InChIKey of 2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid?
The InChIKey is FQUGDFOHRWYXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-8-6-9(2)11(4)15(10(8)3)16-13(7-14(19)20)12(5)17-18-16/h6H,7H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of 2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid?
2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 82488578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).