N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide

C17H15BrN4O4 — CID 55848411

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cn1
InChIInChI=1S/C17H15BrN4O4/c18-11-1-3-13(4-2-11)25-10-14-5-6-15(26-14)17(24)21-12-7-20-22(8-12)9-16(19)23/h1-8H,9-10H2,(H2,19,23)(H,21,24)
InChIKeyTYYJQKJAIYMIAX-UHFFFAOYSA-N
MW419.24 g/mol
LogP2.56
Rot. Bonds7

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide (PubChem CID 55848411) has the molecular formula C17H15BrN4O4 and a molecular weight of 419.24 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
PubChem CID55848411
Molecular FormulaC17H15BrN4O4
Molecular Weight419.24 g/mol
Exact Mass418.03
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cn1
InChIInChI=1S/C17H15BrN4O4/c18-11-1-3-13(4-2-11)25-10-14-5-6-15(26-14)17(24)21-12-7-20-22(8-12)9-16(19)23/h1-8H,9-10H2,(H2,19,23)(H,21,24)
InChIKeyTYYJQKJAIYMIAX-UHFFFAOYSA-N
XLogP2.56
TPSA112.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19403922
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19408811
5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19410398
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19408792
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19408810
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19340567
5-[(4-tert-butylphenoxy)methyl]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95741087
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19410019
5-[(4-tert-butylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450736
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413216
5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60508098
5-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19283408

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide (CID 55848411) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide is NC(=O)Cn1cc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cn1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide?
The InChIKey is TYYJQKJAIYMIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O4/c18-11-1-3-13(4-2-11)25-10-14-5-6-15(26-14)17(24)21-12-7-20-22(8-12)9-16(19)23/h1-8H,9-10H2,(H2,19,23)(H,21,24).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide has a molecular weight of 419.24 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 55848411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).