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

C18H17Br2N3O3 — CID 19323062

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C18H17Br2N3O3/c1-2-23-16(15(20)9-22-23)10-21-18(24)17-8-7-14(26-17)11-25-13-5-3-12(19)4-6-13/h3-9H,2,10-11H2,1H3,(H,21,24)
InChIKeyUOIOWGNLHACQDT-UHFFFAOYSA-N
MW483.16 g/mol
LogP4.53
Rot. Bonds7

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

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide (PubChem CID 19323062) has the molecular formula C18H17Br2N3O3 and a molecular weight of 483.16 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
PubChem CID19323062
Molecular FormulaC18H17Br2N3O3
Molecular Weight483.16 g/mol
Exact Mass480.96
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C18H17Br2N3O3/c1-2-23-16(15(20)9-22-23)10-21-18(24)17-8-7-14(26-17)11-25-13-5-3-12(19)4-6-13/h3-9H,2,10-11H2,1H3,(H,21,24)
InChIKeyUOIOWGNLHACQDT-UHFFFAOYSA-N
XLogP4.53
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.16
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide
CID 19465732
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19296693
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19296406
N-[(2-ethylpyrazol-3-yl)methyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19294616
5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19450499
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19333176
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460936
N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119628540
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19296501
5-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19283408
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19403922
5-[(4-bromophenoxy)methyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55776259

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide (CID 19323062) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide is CCn1ncc(Br)c1CNC(=O)c1ccc(COc2ccc(Br)cc2)o1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide?
The InChIKey is UOIOWGNLHACQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br2N3O3/c1-2-23-16(15(20)9-22-23)10-21-18(24)17-8-7-14(26-17)11-25-13-5-3-12(19)4-6-13/h3-9H,2,10-11H2,1H3,(H,21,24).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide has a molecular weight of 483.16 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 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]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19323062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).