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

C16H18FN3 — CID 4694810

IUPAC3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(C3CCCC3)c3c2NCC3)cc1
InChIInChI=1S/C16H18FN3/c17-12-5-7-13(8-6-12)20-16-14(9-10-18-16)15(19-20)11-3-1-2-4-11/h5-8,11,18H,1-4,9-10H2
InChIKeyCPMJSHAUHPYGBY-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.64
Rot. Bonds2

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

3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 4694810) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID4694810
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(C3CCCC3)c3c2NCC3)cc1
InChIInChI=1S/C16H18FN3/c17-12-5-7-13(8-6-12)20-16-14(9-10-18-16)15(19-20)11-3-1-2-4-11/h5-8,11,18H,1-4,9-10H2
InChIKeyCPMJSHAUHPYGBY-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 4694810) is 3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Fc1ccc(-n2nc(C3CCCC3)c3c2NCC3)cc1.
What is the InChIKey of 3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is CPMJSHAUHPYGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c17-12-5-7-13(8-6-12)20-16-14(9-10-18-16)15(19-20)11-3-1-2-4-11/h5-8,11,18H,1-4,9-10H2.
What are the key properties of 3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 271.34 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4694810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).