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

C18H16FN3 — CID 5287525

IUPAC3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESCc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CCC3)n1
InChIInChI=1S/C18H16FN3/c1-12-4-2-5-15(20-12)18-17(13-7-9-14(19)10-8-13)16-6-3-11-22(16)21-18/h2,4-5,7-10H,3,6,11H2,1H3
InChIKeyNBDZLUOYAAVYHF-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.01
Rot. Bonds2

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

3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (PubChem CID 5287525) has the molecular formula C18H16FN3 and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
PubChem CID5287525
Molecular FormulaC18H16FN3
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC Name3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESCc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CCC3)n1
InChIInChI=1S/C18H16FN3/c1-12-4-2-5-15(20-12)18-17(13-7-9-14(19)10-8-13)16-6-3-11-22(16)21-18/h2,4-5,7-10H,3,6,11H2,1H3
InChIKeyNBDZLUOYAAVYHF-UHFFFAOYSA-N
XLogP4.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole 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 3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The IUPAC name of 3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CID 5287525) is 3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is Cc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CCC3)n1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The InChIKey is NBDZLUOYAAVYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c1-12-4-2-5-15(20-12)18-17(13-7-9-14(19)10-8-13)16-6-3-11-22(16)21-18/h2,4-5,7-10H,3,6,11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole has a molecular weight of 293.35 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is sourced from PubChem (CID 5287525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).