[1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate

C11H9FN2O3 — CID 67364641

IUPAC[1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate
SMILESO=C(O)Oc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C11H9FN2O3/c12-9-3-1-2-8(4-9)6-14-7-10(5-13-14)17-11(15)16/h1-5,7H,6H2,(H,15,16)
InChIKeyKWTZFZYOEMTNRC-UHFFFAOYSA-N
MW236.20 g/mol
LogP2.13
Rot. Bonds3

About [1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate

[1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate (PubChem CID 67364641) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate
PubChem CID67364641
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name[1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate
SMILESO=C(O)Oc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C11H9FN2O3/c12-9-3-1-2-8(4-9)6-14-7-10(5-13-14)17-11(15)16/h1-5,7H,6H2,(H,15,16)
InChIKeyKWTZFZYOEMTNRC-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate?
The IUPAC name of [1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate (CID 67364641) is [1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate is O=C(O)Oc1cnn(Cc2cccc(F)c2)c1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate?
The InChIKey is KWTZFZYOEMTNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-9-3-1-2-8(4-9)6-14-7-10(5-13-14)17-11(15)16/h1-5,7H,6H2,(H,15,16).
What are the key properties of [1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate?
[1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate has a molecular weight of 236.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]pyrazol-4-yl] hydrogen carbonate is sourced from PubChem (CID 67364641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).