N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C17H16BrN3O2 — CID 42959133

IUPACN-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cn2cccn2)o1)c1ccccc1Br
InChIInChI=1S/C17H16BrN3O2/c1-12(14-5-2-3-6-15(14)18)20-17(22)16-8-7-13(23-16)11-21-10-4-9-19-21/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyYLDRBKWMNOXTSS-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.78
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 42959133) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID42959133
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC NameN-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cn2cccn2)o1)c1ccccc1Br
InChIInChI=1S/C17H16BrN3O2/c1-12(14-5-2-3-6-15(14)18)20-17(22)16-8-7-13(23-16)11-21-10-4-9-19-21/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyYLDRBKWMNOXTSS-UHFFFAOYSA-N
XLogP3.78
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43357614
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95593404
5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 131951497
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 107300126
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-[(1R)-1-(2-fluorophenyl)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31343638
5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 91785737
N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 115700989
5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38608481

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 42959133) is N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is CC(NC(=O)c1ccc(Cn2cccn2)o1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is YLDRBKWMNOXTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-12(14-5-2-3-6-15(14)18)20-17(22)16-8-7-13(23-16)11-21-10-4-9-19-21/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 374.24 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 42959133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).