4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole

C24H19BrClFN2O2 — CID 17025024

IUPAC4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3ccc(OC)cc3)c2Br)cc1
InChIInChI=1S/C24H19BrClFN2O2/c1-30-19-9-4-15(5-10-19)23-22(25)24(16-6-11-20(31-2)12-7-16)29(28-23)14-17-3-8-18(27)13-21(17)26/h3-13H,14H2,1-2H3
InChIKeyDDDVTYMHTRVUTQ-UHFFFAOYSA-N
MW501.78 g/mol
LogP6.84
Rot. Bonds6

About 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole

4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole (PubChem CID 17025024) has the molecular formula C24H19BrClFN2O2 and a molecular weight of 501.78 g/mol. Its IUPAC name is 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole
PubChem CID17025024
Molecular FormulaC24H19BrClFN2O2
Molecular Weight501.78 g/mol
Exact Mass500.03
IUPAC Name4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3ccc(OC)cc3)c2Br)cc1
InChIInChI=1S/C24H19BrClFN2O2/c1-30-19-9-4-15(5-10-19)23-22(25)24(16-6-11-20(31-2)12-7-16)29(28-23)14-17-3-8-18(27)13-21(17)26/h3-13H,14H2,1-2H3
InChIKeyDDDVTYMHTRVUTQ-UHFFFAOYSA-N
XLogP6.84
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.78
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
CID 17025619
4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)pyrazole
CID 19586241
4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 17025532
1-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole
CID 19586407
1-benzyl-4-bromo-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586324
4-bromo-1-[(4-methoxyphenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
CID 19586803
2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole
CID 67021311
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)-4-methylpyrazole
CID 17025548
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586223
4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586275
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 124796633
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole?
The IUPAC name of 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole (CID 17025024) is 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole?
The canonical SMILES for 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole is COc1ccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3ccc(OC)cc3)c2Br)cc1.
What is the InChIKey of 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole?
The InChIKey is DDDVTYMHTRVUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrClFN2O2/c1-30-19-9-4-15(5-10-19)23-22(25)24(16-6-11-20(31-2)12-7-16)29(28-23)14-17-3-8-18(27)13-21(17)26/h3-13H,14H2,1-2H3.
What are the key properties of 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole?
4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole has a molecular weight of 501.78 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 17025024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).