3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole

C23H17Br2ClN2O — CID 17025240

IUPAC3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole
SMILESCOc1cccc(Cn2nc(-c3cccc(Br)c3)c(Cl)c2-c2cccc(Br)c2)c1
InChIInChI=1S/C23H17Br2ClN2O/c1-29-20-10-2-5-15(11-20)14-28-23(17-7-4-9-19(25)13-17)21(26)22(27-28)16-6-3-8-18(24)12-16/h2-13H,14H2,1H3
InChIKeyLOMJJOGUTLIRRP-UHFFFAOYSA-N
MW532.66 g/mol
LogP7.45
Rot. Bonds5

About 3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole

3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole (PubChem CID 17025240) has the molecular formula C23H17Br2ClN2O and a molecular weight of 532.66 g/mol. Its IUPAC name is 3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole
PubChem CID17025240
Molecular FormulaC23H17Br2ClN2O
Molecular Weight532.66 g/mol
Exact Mass529.94
IUPAC Name3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole
SMILESCOc1cccc(Cn2nc(-c3cccc(Br)c3)c(Cl)c2-c2cccc(Br)c2)c1
InChIInChI=1S/C23H17Br2ClN2O/c1-29-20-10-2-5-15(11-20)14-28-23(17-7-4-9-19(25)13-17)21(26)22(27-28)16-6-3-8-18(24)12-16/h2-13H,14H2,1H3
InChIKeyLOMJJOGUTLIRRP-UHFFFAOYSA-N
XLogP7.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.66
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19587018
4-chloro-1-[(4-ethenylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
CID 17025443
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586223
3,5-bis(3-bromophenyl)-4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazole
CID 19586537
3,5-bis(4-bromophenyl)-4-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 17025409
ethyl 2-[4-chloro-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate
CID 19587044
4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
CID 19586315
1-[(3-bromophenyl)methyl]-5-(3-methoxyphenyl)triazole-4-carboxylic acid
CID 56769060
3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole
CID 67021143
3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole
CID 50999870
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
CID 17025077

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole (CID 17025240) is 3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole is COc1cccc(Cn2nc(-c3cccc(Br)c3)c(Cl)c2-c2cccc(Br)c2)c1.
What is the InChIKey of 3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole?
The InChIKey is LOMJJOGUTLIRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Br2ClN2O/c1-29-20-10-2-5-15(11-20)14-28-23(17-7-4-9-19(25)13-17)21(26)22(27-28)16-6-3-8-18(24)12-16/h2-13H,14H2,1H3.
What are the key properties of 3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole?
3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole has a molecular weight of 532.66 g/mol, XLogP of 7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 17025240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).