2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline

C24H14F3N3 — CID 142291657

IUPAC2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline
SMILESFc1ccc(-c2cc(-c3ccc4cc(F)ccc4n3)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H14F3N3/c25-17-4-1-15(2-5-17)23-14-24(30(29-23)20-9-6-18(26)7-10-20)22-11-3-16-13-19(27)8-12-21(16)28-22/h1-14H
InChIKeyBSNBVVDQHPVUMF-UHFFFAOYSA-N
MW401.39 g/mol
LogP6.17
Rot. Bonds3

About 2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline

2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline (PubChem CID 142291657) has the molecular formula C24H14F3N3 and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline.

Molecular Properties

Compound Name2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline
PubChem CID142291657
Molecular FormulaC24H14F3N3
Molecular Weight401.39 g/mol
Exact Mass401.11
IUPAC Name2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline
SMILESFc1ccc(-c2cc(-c3ccc4cc(F)ccc4n3)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H14F3N3/c25-17-4-1-15(2-5-17)23-14-24(30(29-23)20-9-6-18(26)7-10-20)22-11-3-16-13-19(27)8-12-21(16)28-22/h1-14H
InChIKeyBSNBVVDQHPVUMF-UHFFFAOYSA-N
XLogP6.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.39
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline?
The IUPAC name of 2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline (CID 142291657) is 2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline.
What is the SMILES notation for 2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline?
The canonical SMILES for 2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline is Fc1ccc(-c2cc(-c3ccc4cc(F)ccc4n3)n(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline?
The InChIKey is BSNBVVDQHPVUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N3/c25-17-4-1-15(2-5-17)23-14-24(30(29-23)20-9-6-18(26)7-10-20)22-11-3-16-13-19(27)8-12-21(16)28-22/h1-14H.
What are the key properties of 2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline?
2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline has a molecular weight of 401.39 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline is sourced from PubChem (CID 142291657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).