4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole

C24H17FN8 — CID 154976998

IUPAC4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole
SMILESFc1cc(-c2cn[nH]c2)c(-c2cc(-c3cn[nH]c3)ccc2-c2cn[nH]c2)cc1-c1cn[nH]c1
InChIInChI=1S/C24H17FN8/c25-24-5-20(17-10-30-31-11-17)23(4-21(24)18-12-32-33-13-18)22-3-14(15-6-26-27-7-15)1-2-19(22)16-8-28-29-9-16/h1-13H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
InChIKeyYYISQRGRSGSSSJ-UHFFFAOYSA-N
MW436.45 g/mol
LogP5.05
Rot. Bonds5

About 4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole

4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole (PubChem CID 154976998) has the molecular formula C24H17FN8 and a molecular weight of 436.45 g/mol. Its IUPAC name is 4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole
PubChem CID154976998
Molecular FormulaC24H17FN8
Molecular Weight436.45 g/mol
Exact Mass436.16
IUPAC Name4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole
SMILESFc1cc(-c2cn[nH]c2)c(-c2cc(-c3cn[nH]c3)ccc2-c2cn[nH]c2)cc1-c1cn[nH]c1
InChIInChI=1S/C24H17FN8/c25-24-5-20(17-10-30-31-11-17)23(4-21(24)18-12-32-33-13-18)22-3-14(15-6-26-27-7-15)1-2-19(22)16-8-28-29-9-16/h1-13H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
InChIKeyYYISQRGRSGSSSJ-UHFFFAOYSA-N
XLogP5.05
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 55.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole?
The IUPAC name of 4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole (CID 154976998) is 4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole.
What is the SMILES notation for 4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole?
The canonical SMILES for 4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole is Fc1cc(-c2cn[nH]c2)c(-c2cc(-c3cn[nH]c3)ccc2-c2cn[nH]c2)cc1-c1cn[nH]c1.
What is the InChIKey of 4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole?
The InChIKey is YYISQRGRSGSSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN8/c25-24-5-20(17-10-30-31-11-17)23(4-21(24)18-12-32-33-13-18)22-3-14(15-6-26-27-7-15)1-2-19(22)16-8-28-29-9-16/h1-13H,(H,26,27)(H,28,29)(H,30,31)(H,32,33).
What are the key properties of 4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole?
4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole has a molecular weight of 436.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2,5-bis(1H-pyrazol-4-yl)phenyl]-2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole is sourced from PubChem (CID 154976998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).