1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole

C12H11FN2O2 — CID 163976022

IUPAC1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole
SMILESFc1ccc(-n2cccn2)c(C2OCCO2)c1
InChIInChI=1S/C12H11FN2O2/c13-9-2-3-11(15-5-1-4-14-15)10(8-9)12-16-6-7-17-12/h1-5,8,12H,6-7H2
InChIKeySUETYUVOWGEMPH-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.06
Rot. Bonds2

About 1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole

1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole (PubChem CID 163976022) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole
PubChem CID163976022
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole
SMILESFc1ccc(-n2cccn2)c(C2OCCO2)c1
InChIInChI=1S/C12H11FN2O2/c13-9-2-3-11(15-5-1-4-14-15)10(8-9)12-16-6-7-17-12/h1-5,8,12H,6-7H2
InChIKeySUETYUVOWGEMPH-UHFFFAOYSA-N
XLogP2.06
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole (CID 163976022) is 1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole is Fc1ccc(-n2cccn2)c(C2OCCO2)c1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole?
The InChIKey is SUETYUVOWGEMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-9-2-3-11(15-5-1-4-14-15)10(8-9)12-16-6-7-17-12/h1-5,8,12H,6-7H2.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole?
1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole has a molecular weight of 234.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole is sourced from PubChem (CID 163976022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).