N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide

C19H19BrClN3O3 — CID 19451904

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCCn1cc(Br)c(CN(C)C(=O)c2ccc(COc3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C19H19BrClN3O3/c1-3-24-10-16(20)17(22-24)11-23(2)19(25)18-9-8-15(27-18)12-26-14-6-4-13(21)5-7-14/h4-10H,3,11-12H2,1-2H3
InChIKeyXTCRYSRJGHKDOY-UHFFFAOYSA-N
MW452.74 g/mol
LogP4.76
Rot. Bonds7

About N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide (PubChem CID 19451904) has the molecular formula C19H19BrClN3O3 and a molecular weight of 452.74 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
PubChem CID19451904
Molecular FormulaC19H19BrClN3O3
Molecular Weight452.74 g/mol
Exact Mass451.03
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCCn1cc(Br)c(CN(C)C(=O)c2ccc(COc3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C19H19BrClN3O3/c1-3-24-10-16(20)17(22-24)11-23(2)19(25)18-9-8-15(27-18)12-26-14-6-4-13(21)5-7-14/h4-10H,3,11-12H2,1-2H3
InChIKeyXTCRYSRJGHKDOY-UHFFFAOYSA-N
XLogP4.76
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.74
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19451903
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19451842
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19450097
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19451972
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 4776582
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19458444
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19333176
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19450147
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19450062
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-[(4-nitrophenoxy)methyl]benzamide
CID 19451944
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorobenzoyl)-N-methylbenzamide
CID 19451989
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19333135

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide (CID 19451904) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide is CCn1cc(Br)c(CN(C)C(=O)c2ccc(COc3ccc(Cl)cc3)o2)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is XTCRYSRJGHKDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O3/c1-3-24-10-16(20)17(22-24)11-23(2)19(25)18-9-8-15(27-18)12-26-14-6-4-13(21)5-7-14/h4-10H,3,11-12H2,1-2H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 452.74 g/mol, XLogP of 4.76, 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-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 19451904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).