2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid

C13H14N2O3 — CID 82866163

IUPAC2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid
SMILESCn1ccc(COc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C13H14N2O3/c1-15-7-6-11(14-15)9-18-12-4-2-10(3-5-12)8-13(16)17/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyWPVSYLSMADFDKY-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.63
Rot. Bonds5

About 2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid

2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid (PubChem CID 82866163) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid
PubChem CID82866163
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid
SMILESCn1ccc(COc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C13H14N2O3/c1-15-7-6-11(14-15)9-18-12-4-2-10(3-5-12)8-13(16)17/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyWPVSYLSMADFDKY-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 82842996
2-[3-acetyl-5-[(1-methylpyrazol-3-yl)methoxy]indazol-1-yl]acetic acid
CID 90032872
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid
CID 117094930
4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 82866842
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
CID 82866640
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid
CID 43310274
2-[4-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid
CID 45398570
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349
4-[(4-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452193
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
CID 103256802

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid (CID 82866163) is 2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid is Cn1ccc(COc2ccc(CC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid?
The InChIKey is WPVSYLSMADFDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15-7-6-11(14-15)9-18-12-4-2-10(3-5-12)8-13(16)17/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid?
2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 82866163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).