2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid

C12H12N2O4 — CID 170824711

IUPAC2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
SMILESO=C(O)C(O)C(O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C12H12N2O4/c15-10(11(16)12(17)18)8-6-13-14-9(8)7-4-2-1-3-5-7/h1-6,10-11,15-16H,(H,13,14)(H,17,18)
InChIKeyFHQVFJYOCWXEDT-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.56
Rot. Bonds4

About 2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid

2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid (PubChem CID 170824711) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
PubChem CID170824711
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
SMILESO=C(O)C(O)C(O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C12H12N2O4/c15-10(11(16)12(17)18)8-6-13-14-9(8)7-4-2-1-3-5-7/h1-6,10-11,15-16H,(H,13,14)(H,17,18)
InChIKeyFHQVFJYOCWXEDT-UHFFFAOYSA-N
XLogP0.56
TPSA106.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-4-(5-phenyl-1H-pyrazol-4-yl)butanoic acid
CID 171878430
3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide
CID 171869553
1-(5-phenyl-1H-pyrazol-4-yl)butane-1,2,4-triol
CID 171873055
3,4-dihydroxy-4-(5-phenyl-1H-pyrazol-4-yl)butanenitrile
CID 171901720
3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid
CID 170823402
2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid
CID 170824122
2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol
CID 104802318
5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid
CID 28948764
1,1'-biphenyl;2,3-dihydroxybutanedioic acid
CID 70563433
cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol
CID 106651341
3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanenitrile
CID 171871621
[(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol
CID 106651340

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid (CID 170824711) is 2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid is O=C(O)C(O)C(O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid?
The InChIKey is FHQVFJYOCWXEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-10(11(16)12(17)18)8-6-13-14-9(8)7-4-2-1-3-5-7/h1-6,10-11,15-16H,(H,13,14)(H,17,18).
What are the key properties of 2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid?
2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid has a molecular weight of 248.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 170824711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).