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

C18H18BrN3O3 — CID 19296501

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)NCc2c(Br)cnn2C)o1
InChIInChI=1S/C18H18BrN3O3/c1-12-5-3-4-6-16(12)24-11-13-7-8-17(25-13)18(23)20-10-15-14(19)9-21-22(15)2/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeySZJOFEUQNKCNND-UHFFFAOYSA-N
MW404.26 g/mol
LogP3.59
Rot. Bonds6

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

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19296501) has the molecular formula C18H18BrN3O3 and a molecular weight of 404.26 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID19296501
Molecular FormulaC18H18BrN3O3
Molecular Weight404.26 g/mol
Exact Mass403.05
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)NCc2c(Br)cnn2C)o1
InChIInChI=1S/C18H18BrN3O3/c1-12-5-3-4-6-16(12)24-11-13-7-8-17(25-13)18(23)20-10-15-14(19)9-21-22(15)2/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeySZJOFEUQNKCNND-UHFFFAOYSA-N
XLogP3.59
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19296406
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19290457
5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19455044
N-[3-(4-chloropyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19330323
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 35326826
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
N-(cyclobutylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95756411
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19323062
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19322731
4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406021
5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19455019

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (CID 19296501) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is Cc1ccccc1OCc1ccc(C(=O)NCc2c(Br)cnn2C)o1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is SZJOFEUQNKCNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3/c1-12-5-3-4-6-16(12)24-11-13-7-8-17(25-13)18(23)20-10-15-14(19)9-21-22(15)2/h3-9H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 404.26 g/mol, XLogP of 3.59, 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-[(2-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19296501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).