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

C20H20FN3 — CID 3983618

IUPAC1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCc1ccc(C)c(-n2nc(Cc3ccc(F)cc3)c3c2NCC3)c1
InChIInChI=1S/C20H20FN3/c1-13-3-4-14(2)19(11-13)24-20-17(9-10-22-20)18(23-24)12-15-5-7-16(21)8-6-15/h3-8,11,22H,9-10,12H2,1-2H3
InChIKeyDWEJYHDTBVABSH-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.19
Rot. Bonds3

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

1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3983618) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3983618
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCc1ccc(C)c(-n2nc(Cc3ccc(F)cc3)c3c2NCC3)c1
InChIInChI=1S/C20H20FN3/c1-13-3-4-14(2)19(11-13)24-20-17(9-10-22-20)18(23-24)12-15-5-7-16(21)8-6-15/h3-8,11,22H,9-10,12H2,1-2H3
InChIKeyDWEJYHDTBVABSH-UHFFFAOYSA-N
XLogP4.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3983618) is 1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Cc1ccc(C)c(-n2nc(Cc3ccc(F)cc3)c3c2NCC3)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is DWEJYHDTBVABSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c1-13-3-4-14(2)19(11-13)24-20-17(9-10-22-20)18(23-24)12-15-5-7-16(21)8-6-15/h3-8,11,22H,9-10,12H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 321.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3983618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).