N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide

C18H17BrClN3O3 — CID 19333135

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
SMILESCCn1cc(Br)c(CNC(=O)c2ccc(COc3ccccc3Cl)o2)n1
InChIInChI=1S/C18H17BrClN3O3/c1-2-23-10-13(19)15(22-23)9-21-18(24)17-8-7-12(26-17)11-25-16-6-4-3-5-14(16)20/h3-8,10H,2,9,11H2,1H3,(H,21,24)
InChIKeyASMRJPSSEIQPBC-UHFFFAOYSA-N
MW438.71 g/mol
LogP4.42
Rot. Bonds7

About N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19333135) has the molecular formula C18H17BrClN3O3 and a molecular weight of 438.71 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19333135
Molecular FormulaC18H17BrClN3O3
Molecular Weight438.71 g/mol
Exact Mass437.01
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
SMILESCCn1cc(Br)c(CNC(=O)c2ccc(COc3ccccc3Cl)o2)n1
InChIInChI=1S/C18H17BrClN3O3/c1-2-23-10-13(19)15(22-23)9-21-18(24)17-8-7-12(26-17)11-25-16-6-4-3-5-14(16)20/h3-8,10H,2,9,11H2,1H3,(H,21,24)
InChIKeyASMRJPSSEIQPBC-UHFFFAOYSA-N
XLogP4.42
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19333176
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19331232
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-[(2-chlorophenoxy)methyl]benzamide
CID 19333126
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
CID 4139417
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19347185
5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19462845
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19287258
5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
CID 3660032
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19284324
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19296501

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide (CID 19333135) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide is CCn1cc(Br)c(CNC(=O)c2ccc(COc3ccccc3Cl)o2)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is ASMRJPSSEIQPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClN3O3/c1-2-23-10-13(19)15(22-23)9-21-18(24)17-8-7-12(26-17)11-25-16-6-4-3-5-14(16)20/h3-8,10H,2,9,11H2,1H3,(H,21,24).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 438.71 g/mol, XLogP of 4.42, 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-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19333135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).