N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

C19H17BrCl3N3O3 — CID 19460306

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C19H17BrCl3N3O3/c1-3-26-16(13(20)8-24-26)9-25(2)19(27)17-5-4-12(29-17)10-28-18-14(22)6-11(21)7-15(18)23/h4-8H,3,9-10H2,1-2H3
InChIKeyMGXFDUZYNULPTQ-UHFFFAOYSA-N
MW521.63 g/mol
LogP6.07
Rot. Bonds7

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19460306) has the molecular formula C19H17BrCl3N3O3 and a molecular weight of 521.63 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19460306
Molecular FormulaC19H17BrCl3N3O3
Molecular Weight521.63 g/mol
Exact Mass518.95
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C19H17BrCl3N3O3/c1-3-26-16(13(20)8-24-26)9-25(2)19(27)17-5-4-12(29-17)10-28-18-14(22)6-11(21)7-15(18)23/h4-8H,3,9-10H2,1-2H3
InChIKeyMGXFDUZYNULPTQ-UHFFFAOYSA-N
XLogP6.07
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.63
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19458540
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19456372
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(2-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19460794
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19458444
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(2-chloro-4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19464609
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19464611
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19460792
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19460635
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N-methylbenzamide
CID 19460406
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 19454345
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methylbenzamide
CID 19460385
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19451972

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (CID 19460306) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is CCn1ncc(Br)c1CN(C)C(=O)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is MGXFDUZYNULPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrCl3N3O3/c1-3-26-16(13(20)8-24-26)9-25(2)19(27)17-5-4-12(29-17)10-28-18-14(22)6-11(21)7-15(18)23/h4-8H,3,9-10H2,1-2H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 521.63 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19460306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).