[5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate

C5H5FN2O3 — CID 68881050

IUPAC[5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate
SMILESO=C(O)Oc1cn[nH]c1CF
InChIInChI=1S/C5H5FN2O3/c6-1-3-4(2-7-8-3)11-5(9)10/h2H,1H2,(H,7,8)(H,9,10)
InChIKeyKGINZXPNSSFOGL-UHFFFAOYSA-N
MW160.10 g/mol
LogP0.94
Rot. Bonds2

About [5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate

[5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate (PubChem CID 68881050) has the molecular formula C5H5FN2O3 and a molecular weight of 160.10 g/mol. Its IUPAC name is [5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate
PubChem CID68881050
Molecular FormulaC5H5FN2O3
Molecular Weight160.10 g/mol
Exact Mass160.03
IUPAC Name[5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate
SMILESO=C(O)Oc1cn[nH]c1CF
InChIInChI=1S/C5H5FN2O3/c6-1-3-4(2-7-8-3)11-5(9)10/h2H,1H2,(H,7,8)(H,9,10)
InChIKeyKGINZXPNSSFOGL-UHFFFAOYSA-N
XLogP0.94
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.10
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate?
The IUPAC name of [5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate (CID 68881050) is [5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate.
What is the SMILES notation for [5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate?
The canonical SMILES for [5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate is O=C(O)Oc1cn[nH]c1CF.
What is the InChIKey of [5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate?
The InChIKey is KGINZXPNSSFOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O3/c6-1-3-4(2-7-8-3)11-5(9)10/h2H,1H2,(H,7,8)(H,9,10).
What are the key properties of [5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate?
[5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate has a molecular weight of 160.10 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(fluoromethyl)-1H-pyrazol-4-yl] hydrogen carbonate is sourced from PubChem (CID 68881050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).