2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid

C12H12N2O3 — CID 105490532

IUPAC2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid
SMILESCC(C(=O)O)c1cnn(-c2ccccc2O)c1
InChIInChI=1S/C12H12N2O3/c1-8(12(16)17)9-6-13-14(7-9)10-4-2-3-5-11(10)15/h2-8,15H,1H3,(H,16,17)
InChIKeyQXNIPCMTILCYBU-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.77
Rot. Bonds3

About 2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid

2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid (PubChem CID 105490532) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid
PubChem CID105490532
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid
SMILESCC(C(=O)O)c1cnn(-c2ccccc2O)c1
InChIInChI=1S/C12H12N2O3/c1-8(12(16)17)9-6-13-14(7-9)10-4-2-3-5-11(10)15/h2-8,15H,1H3,(H,16,17)
InChIKeyQXNIPCMTILCYBU-UHFFFAOYSA-N
XLogP1.77
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methylamino)pyrazol-1-yl]phenol
CID 83877134
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
2-(3-hydroxybutan-2-yloxy)-2-(1-phenylpyrazol-4-yl)acetic acid
CID 103377817
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide
CID 125170397
2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol
CID 117230221
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 62225528
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid
CID 175317515

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid (CID 105490532) is 2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid is CC(C(=O)O)c1cnn(-c2ccccc2O)c1.
What is the InChIKey of 2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid?
The InChIKey is QXNIPCMTILCYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(12(16)17)9-6-13-14(7-9)10-4-2-3-5-11(10)15/h2-8,15H,1H3,(H,16,17).
What are the key properties of 2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid?
2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 105490532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).