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

C5H6N2O2 — CID 20555351

IUPAC2-(1H-pyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cn[nH]c1
InChIInChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-7-3-4/h2-3H,1H2,(H,6,7)(H,8,9)
InChIKeyPXWJTOHJADWQQO-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.04
Rot. Bonds2

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

2-(1H-pyrazol-4-yl)acetic acid (PubChem CID 20555351) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)acetic acid
PubChem CID20555351
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name2-(1H-pyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cn[nH]c1
InChIInChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-7-3-4/h2-3H,1H2,(H,6,7)(H,8,9)
InChIKeyPXWJTOHJADWQQO-UHFFFAOYSA-N
XLogP0.04
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-Pyrazol-4-yl)ethanol
CID 4293604
2-(1H-pyrazol-4-yl)acetic acid hydrochloride
CID 127255517
Methyl 2-(1H-pyrazol-4-yl)acetate hydrochloride
CID 146026756
3,3,3-trifluoro-2-hydroxy-2-(1H-pyrazol-4-yl)propanoic acid
CID 83391748
Ethyl 2,2-difluoro-2-(1H-pyrazol-4-yl)acetate
CID 100023856
2-methyl-2-(1H-pyrazol-4-yl)propanoic acid
CID 105430059
2-methyl-2-(1H-pyrazol-4-yl)propanoic acid hydrochloride
CID 155858282
1-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid hydrochloride
CID 165926059
2,2-difluoro-2-(1H-pyrazol-4-yl)acetic acid hydrochloride
CID 170915940
Ethyl 2-(1H-pyrazol-4-yl)acetate
CID 20555345
2-oxo-2-(1H-pyrazol-4-yl)acetic acid
CID 82418285
2,2-Difluoro-2-(1H-pyrazol-4-yl)acetic acid
CID 84716820

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1H-pyrazol-4-yl)acetic acid (CID 20555351) is 2-(1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1H-pyrazol-4-yl)acetic acid is O=C(O)Cc1cn[nH]c1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)acetic acid?
The InChIKey is PXWJTOHJADWQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-7-3-4/h2-3H,1H2,(H,6,7)(H,8,9).
What are the key properties of 2-(1H-pyrazol-4-yl)acetic acid?
2-(1H-pyrazol-4-yl)acetic acid has a molecular weight of 126.11 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 20555351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).