2-fluoro-2-pyrazol-1-ylacetic acid

C5H5FN2O2 — CID 81298696

IUPAC2-fluoro-2-pyrazol-1-ylacetic acid
SMILESO=C(O)C(F)n1cccn1
InChIInChI=1S/C5H5FN2O2/c6-4(5(9)10)8-3-1-2-7-8/h1-4H,(H,9,10)
InChIKeyMSCKAZKGYFCKDA-UHFFFAOYSA-N
MW144.10 g/mol
LogP0.44
Rot. Bonds2

About 2-fluoro-2-pyrazol-1-ylacetic acid

2-fluoro-2-pyrazol-1-ylacetic acid (PubChem CID 81298696) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is 2-fluoro-2-pyrazol-1-ylacetic acid.

Molecular Properties

Compound Name2-fluoro-2-pyrazol-1-ylacetic acid
PubChem CID81298696
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Name2-fluoro-2-pyrazol-1-ylacetic acid
SMILESO=C(O)C(F)n1cccn1
InChIInChI=1S/C5H5FN2O2/c6-4(5(9)10)8-3-1-2-7-8/h1-4H,(H,9,10)
InChIKeyMSCKAZKGYFCKDA-UHFFFAOYSA-N
XLogP0.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazol-1-ylacetic acid
CID 3717462
Pyrazole-1-butyric acid
CID 3066548
1-(2-Hydroxyethyl)-1H-pyrazole
CID 237031
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 2060883
2-(4-bromo-1H-pyrazol-1-yl)acetic acid
CID 17024755
3-(1H-pyrazol-1-yl)propanoic acid
CID 1092972
2-methyl-3-(1H-pyrazol-1-yl)propanoic acid
CID 6483897
1-(1H-pyrazol-1-yl)propan-2-one
CID 5155003
2-(1H-Pyrazol-1-yl)propanoic acid
CID 16793133
2-(4-methyl-1H-pyrazol-1-yl)acetic acid
CID 6485345
alpha,alpha-Dimethyl-1H-pyrazole-1-acetic acid
CID 2763345
2-(4-chloro-1H-pyrazol-1-yl)acetic acid
CID 6485340

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-pyrazol-1-ylacetic acid?
The IUPAC name of 2-fluoro-2-pyrazol-1-ylacetic acid (CID 81298696) is 2-fluoro-2-pyrazol-1-ylacetic acid.
What is the SMILES notation for 2-fluoro-2-pyrazol-1-ylacetic acid?
The canonical SMILES for 2-fluoro-2-pyrazol-1-ylacetic acid is O=C(O)C(F)n1cccn1.
What is the InChIKey of 2-fluoro-2-pyrazol-1-ylacetic acid?
The InChIKey is MSCKAZKGYFCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c6-4(5(9)10)8-3-1-2-7-8/h1-4H,(H,9,10).
What are the key properties of 2-fluoro-2-pyrazol-1-ylacetic acid?
2-fluoro-2-pyrazol-1-ylacetic acid has a molecular weight of 144.10 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-pyrazol-1-ylacetic acid is sourced from PubChem (CID 81298696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).