3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C12H11FN2 — CID 71531119

IUPAC3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESFc1ccc(-c2cnn3c2CCC3)cc1
InChIInChI=1S/C12H11FN2/c13-10-5-3-9(4-6-10)11-8-14-15-7-1-2-12(11)15/h3-6,8H,1-2,7H2
InChIKeyNJCFPOWYXRHKPN-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.64
Rot. Bonds1

About 3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 71531119) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID71531119
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESFc1ccc(-c2cnn3c2CCC3)cc1
InChIInChI=1S/C12H11FN2/c13-10-5-3-9(4-6-10)11-8-14-15-7-1-2-12(11)15/h3-6,8H,1-2,7H2
InChIKeyNJCFPOWYXRHKPN-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 71531119) is 3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is Fc1ccc(-c2cnn3c2CCC3)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is NJCFPOWYXRHKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-10-5-3-9(4-6-10)11-8-14-15-7-1-2-12(11)15/h3-6,8H,1-2,7H2.
What are the key properties of 3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 202.23 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 71531119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).