1H-pyrazol-5-yl 2-fluoroacetate

C5H5FN2O2 — CID 175256167

IUPAC1H-pyrazol-5-yl 2-fluoroacetate
SMILESO=C(CF)Oc1ccn[nH]1
InChIInChI=1S/C5H5FN2O2/c6-3-5(9)10-4-1-2-7-8-4/h1-2H,3H2,(H,7,8)
InChIKeyJZPSQQDMPPVACS-UHFFFAOYSA-N
MW144.10 g/mol
LogP0.28
Rot. Bonds2

About 1H-pyrazol-5-yl 2-fluoroacetate

1H-pyrazol-5-yl 2-fluoroacetate (PubChem CID 175256167) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is 1H-pyrazol-5-yl 2-fluoroacetate.

Molecular Properties

Compound Name1H-pyrazol-5-yl 2-fluoroacetate
PubChem CID175256167
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Name1H-pyrazol-5-yl 2-fluoroacetate
SMILESO=C(CF)Oc1ccn[nH]1
InChIInChI=1S/C5H5FN2O2/c6-3-5(9)10-4-1-2-7-8-4/h1-2H,3H2,(H,7,8)
InChIKeyJZPSQQDMPPVACS-UHFFFAOYSA-N
XLogP0.28
TPSA54.98 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 ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl 2-fluoroacetate?
The IUPAC name of 1H-pyrazol-5-yl 2-fluoroacetate (CID 175256167) is 1H-pyrazol-5-yl 2-fluoroacetate.
What is the SMILES notation for 1H-pyrazol-5-yl 2-fluoroacetate?
The canonical SMILES for 1H-pyrazol-5-yl 2-fluoroacetate is O=C(CF)Oc1ccn[nH]1.
What is the InChIKey of 1H-pyrazol-5-yl 2-fluoroacetate?
The InChIKey is JZPSQQDMPPVACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c6-3-5(9)10-4-1-2-7-8-4/h1-2H,3H2,(H,7,8).
What are the key properties of 1H-pyrazol-5-yl 2-fluoroacetate?
1H-pyrazol-5-yl 2-fluoroacetate has a molecular weight of 144.10 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl 2-fluoroacetate is sourced from PubChem (CID 175256167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).