2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid

C6H8N2O3 — CID 83391497

IUPAC2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid
SMILESCC(O)(C(=O)O)c1cn[nH]c1
InChIInChI=1S/C6H8N2O3/c1-6(11,5(9)10)4-2-7-8-3-4/h2-3,11H,1H3,(H,7,8)(H,9,10)
InChIKeyZJXFZGWNHSQBMW-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.30
Rot. Bonds2

About 2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid

2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid (PubChem CID 83391497) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid
PubChem CID83391497
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid
SMILESCC(O)(C(=O)O)c1cn[nH]c1
InChIInChI=1S/C6H8N2O3/c1-6(11,5(9)10)4-2-7-8-3-4/h2-3,11H,1H3,(H,7,8)(H,9,10)
InChIKeyZJXFZGWNHSQBMW-UHFFFAOYSA-N
XLogP-0.30
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrazol-4-yl)acetic acid hydrochloride
CID 127255517
2-(1H-pyrazol-4-yl)acetic acid
CID 20555351
3,3,3-trifluoro-2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid
CID 83391748
2-methyl-2-(1H-pyrazol-4-yl)propanoic acid
CID 105430059
2-methyl-2-(1H-pyrazol-4-yl)propanoic acid hydrochloride
CID 155858282
2-fluoro-2-(1H-pyrazol-4-yl)acetic acid
CID 165960933
2-(1H-pyrazol-4-yl)prop-2-enoic acid
CID 20324588
2-(1H-pyrazol-4-yl)propanoic acid
CID 22665962
(2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid
CID 57250697
methyl 2-(1H-pyrazol-4-yl)acetate
CID 58189211
Ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate
CID 83441148
tert-Butyl 2-(1H-pyrazol-4-yl)acetate
CID 121231573

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid (CID 83391497) is 2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid is CC(O)(C(=O)O)c1cn[nH]c1.
What is the InChIKey of 2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid?
The InChIKey is ZJXFZGWNHSQBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-6(11,5(9)10)4-2-7-8-3-4/h2-3,11H,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid?
2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid has a molecular weight of 156.14 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 83391497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).