2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid

C13H14N2O3 — CID 115055262

IUPAC2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid
SMILESCc1c(Oc2ccc(CC(=O)O)cc2)cnn1C
InChIInChI=1S/C13H14N2O3/c1-9-12(8-14-15(9)2)18-11-5-3-10(4-6-11)7-13(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyXZVSZIGQYGKLDQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.15
Rot. Bonds4

About 2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid

2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid (PubChem CID 115055262) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid
PubChem CID115055262
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid
SMILESCc1c(Oc2ccc(CC(=O)O)cc2)cnn1C
InChIInChI=1S/C13H14N2O3/c1-9-12(8-14-15(9)2)18-11-5-3-10(4-6-11)7-13(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyXZVSZIGQYGKLDQ-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid (CID 115055262) is 2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid is Cc1c(Oc2ccc(CC(=O)O)cc2)cnn1C.
What is the InChIKey of 2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid?
The InChIKey is XZVSZIGQYGKLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-12(8-14-15(9)2)18-11-5-3-10(4-6-11)7-13(16)17/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid?
2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 115055262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).