4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole

C24H17BrF2N2 — CID 17025432

IUPAC4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
SMILESC=Cc1ccc(Cn2nc(-c3ccc(F)cc3)c(Br)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17BrF2N2/c1-2-16-3-5-17(6-4-16)15-29-24(19-9-13-21(27)14-10-19)22(25)23(28-29)18-7-11-20(26)12-8-18/h2-14H,1,15H2
InChIKeyUCPNFBUZVUGHQI-UHFFFAOYSA-N
MW451.31 g/mol
LogP6.95
Rot. Bonds5

About 4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole

4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole (PubChem CID 17025432) has the molecular formula C24H17BrF2N2 and a molecular weight of 451.31 g/mol. Its IUPAC name is 4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
PubChem CID17025432
Molecular FormulaC24H17BrF2N2
Molecular Weight451.31 g/mol
Exact Mass450.05
IUPAC Name4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
SMILESC=Cc1ccc(Cn2nc(-c3ccc(F)cc3)c(Br)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17BrF2N2/c1-2-16-3-5-17(6-4-16)15-29-24(19-9-13-21(27)14-10-19)22(25)23(28-29)18-7-11-20(26)12-8-18/h2-14H,1,15H2
InChIKeyUCPNFBUZVUGHQI-UHFFFAOYSA-N
XLogP6.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.31
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Bromophenyl)-(1-methyl-3,5-diphenylpyrazol-4-yl)diazene
CID 168268869
(4-Bromophenyl)-(1-ethyl-3,5-diphenylpyrazol-4-yl)diazene
CID 168280476
3-(4-fluorophenyl)-5-methyl-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44383830
1H-Pyrazole, 5-(4-bromophenyl)-1,3-diphenyl-
CID 11372268
4-bromo-N-[[1-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]aniline
CID 118736305
3,4,5-triphenyl-lH-pyrazole-1-nonanenitrile
CID 15725752
1-Benzyl-3,5-diphenyl-1H-pyrazole
CID 4624980
4-bromo-1,3-dimethyl-5-phenyl-1H-pyrazole
CID 68935937
[4-[[4-(4-Fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine
CID 155520033
1-[(3-Fluorophenyl)methyl]-3,5-diphenylpyrazole
CID 177651086
1-[(2-Fluorophenyl)methyl]-3,5-diphenylpyrazole
CID 177651195
1-benzyl-4-bromo-3,5-dimethyl-1H-pyrazole
CID 12203513

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
The IUPAC name of 4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole (CID 17025432) is 4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
The canonical SMILES for 4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole is C=Cc1ccc(Cn2nc(-c3ccc(F)cc3)c(Br)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
The InChIKey is UCPNFBUZVUGHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrF2N2/c1-2-16-3-5-17(6-4-16)15-29-24(19-9-13-21(27)14-10-19)22(25)23(28-29)18-7-11-20(26)12-8-18/h2-14H,1,15H2.
What are the key properties of 4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole has a molecular weight of 451.31 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-ethenylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole is sourced from PubChem (CID 17025432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).