5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide

C24H20BrClFN3O3 — CID 19409760

IUPAC5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C24H20BrClFN3O3/c1-14-23(15(2)30(29-14)12-16-3-6-18(27)7-4-16)28-24(31)22-10-8-19(33-22)13-32-21-9-5-17(25)11-20(21)26/h3-11H,12-13H2,1-2H3,(H,28,31)
InChIKeyQQEJANSRDUASFP-UHFFFAOYSA-N
MW532.80 g/mol
LogP6.53
Rot. Bonds7

About 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide

5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide (PubChem CID 19409760) has the molecular formula C24H20BrClFN3O3 and a molecular weight of 532.80 g/mol. Its IUPAC name is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
PubChem CID19409760
Molecular FormulaC24H20BrClFN3O3
Molecular Weight532.80 g/mol
Exact Mass531.04
IUPAC Name5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C24H20BrClFN3O3/c1-14-23(15(2)30(29-14)12-16-3-6-18(27)7-4-16)28-24(31)22-10-8-19(33-22)13-32-21-9-5-17(25)11-20(21)26/h3-11H,12-13H2,1-2H3,(H,28,31)
InChIKeyQQEJANSRDUASFP-UHFFFAOYSA-N
XLogP6.53
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.80
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19393937
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19411905
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19402061
5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19337889
5-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19411804
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19338018
5-[(4-bromo-2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)furan-2-carboxamide
CID 19463738
5-[(4-bromophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19337929
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19393892
5-[(2-bromophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19450231
5-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19453233
5-[(2,4-difluorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19453092

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide (CID 19409760) is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide is Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1.
What is the InChIKey of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide?
The InChIKey is QQEJANSRDUASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrClFN3O3/c1-14-23(15(2)30(29-14)12-16-3-6-18(27)7-4-16)28-24(31)22-10-8-19(33-22)13-32-21-9-5-17(25)11-20(21)26/h3-11H,12-13H2,1-2H3,(H,28,31).
What are the key properties of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide?
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide has a molecular weight of 532.80 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19409760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).