N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C21H18BrN3O3 — CID 19296406

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCn1ncc(Br)c1CNC(=O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C21H18BrN3O3/c1-25-19(18(22)11-24-25)12-23-21(26)20-9-8-17(28-20)13-27-16-7-6-14-4-2-3-5-15(14)10-16/h2-11H,12-13H2,1H3,(H,23,26)
InChIKeyVLGOIHHUFQQLPP-UHFFFAOYSA-N
MW440.30 g/mol
LogP4.44
Rot. Bonds6

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 19296406) has the molecular formula C21H18BrN3O3 and a molecular weight of 440.30 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID19296406
Molecular FormulaC21H18BrN3O3
Molecular Weight440.30 g/mol
Exact Mass439.05
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCn1ncc(Br)c1CNC(=O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C21H18BrN3O3/c1-25-19(18(22)11-24-25)12-23-21(26)20-9-8-17(28-20)13-27-16-7-6-14-4-2-3-5-15(14)10-16/h2-11H,12-13H2,1H3,(H,23,26)
InChIKeyVLGOIHHUFQQLPP-UHFFFAOYSA-N
XLogP4.44
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19296501
5-(naphthalen-2-yloxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 19578864
N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 35523266
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19323062
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460541
N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461074
N-(1,5-dimethylpyrazol-3-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39886151
N-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31491727
5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide
CID 19465732
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19296435
ethyl 1-methyl-5-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate
CID 19461156
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 19296406) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is Cn1ncc(Br)c1CNC(=O)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is VLGOIHHUFQQLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3/c1-25-19(18(22)11-24-25)12-23-21(26)20-9-8-17(28-20)13-27-16-7-6-14-4-2-3-5-15(14)10-16/h2-11H,12-13H2,1H3,(H,23,26).
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 440.30 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19296406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).