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

C5H6N2O3 — CID 82418017

IUPAC2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid
SMILESO=C(O)C(O)c1cn[nH]c1
InChIInChI=1S/C5H6N2O3/c8-4(5(9)10)3-1-6-7-2-3/h1-2,4,8H,(H,6,7)(H,9,10)
InChIKeyDHDJSPHCILMGPO-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.47
Rot. Bonds2

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

2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid (PubChem CID 82418017) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid
PubChem CID82418017
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid
SMILESO=C(O)C(O)c1cn[nH]c1
InChIInChI=1S/C5H6N2O3/c8-4(5(9)10)3-1-6-7-2-3/h1-2,4,8H,(H,6,7)(H,9,10)
InChIKeyDHDJSPHCILMGPO-UHFFFAOYSA-N
XLogP-0.47
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.47
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-fluoro-2-(1H-pyrazol-4-yl)acetic acid
CID 165960933
2-(1H-pyrazol-4-yl)prop-2-enoic acid
CID 20324588
2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid
CID 83391497
Ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate
CID 83441148
2-ethoxy-2-(1H-pyrazol-4-yl)acetic acid
CID 153723660
2-hydroxy-3-(1H-pyrazol-4-yl)propanoic acid
CID 83441811
2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid
CID 83827170
2-ethoxy-2-(1H-pyrazol-4-yl)propanoic acid
CID 84659496
2-propan-2-yloxy-2-(1H-pyrazol-4-yl)propanoic acid
CID 84668190

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid (CID 82418017) is 2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid is O=C(O)C(O)c1cn[nH]c1.
What is the InChIKey of 2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid?
The InChIKey is DHDJSPHCILMGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c8-4(5(9)10)3-1-6-7-2-3/h1-2,4,8H,(H,6,7)(H,9,10).
What are the key properties of 2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid?
2-hydroxy-2-(1H-pyrazol-4-yl)acetic acid has a molecular weight of 142.11 g/mol, XLogP of -0.47, 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)acetic acid is sourced from PubChem (CID 82418017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).