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

C19H20IN3O3 — CID 19446050

IUPACN-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2ccc(COc3ccc(I)cc3)o2)n1
InChIInChI=1S/C19H20IN3O3/c1-3-23-11-10-17(22-23)13(2)21-19(24)18-9-8-16(26-18)12-25-15-6-4-14(20)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,24)
InChIKeyLWGLTPLSZLBPAK-UHFFFAOYSA-N
MW465.29 g/mol
LogP4.17
Rot. Bonds7

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

N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide (PubChem CID 19446050) has the molecular formula C19H20IN3O3 and a molecular weight of 465.29 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
PubChem CID19446050
Molecular FormulaC19H20IN3O3
Molecular Weight465.29 g/mol
Exact Mass465.05
IUPAC NameN-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2ccc(COc3ccc(I)cc3)o2)n1
InChIInChI=1S/C19H20IN3O3/c1-3-23-11-10-17(22-23)13(2)21-19(24)18-9-8-16(26-18)12-25-15-6-4-14(20)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,24)
InChIKeyLWGLTPLSZLBPAK-UHFFFAOYSA-N
XLogP4.17
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19462624
5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19417199
5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19462556
5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19417296
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19456577
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19466841
N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454649
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448194
4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445175
N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 43011698
5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19452492
N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43048903

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide (CID 19446050) is N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide is CCn1ccc(C(C)NC(=O)c2ccc(COc3ccc(I)cc3)o2)n1.
What is the InChIKey of N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The InChIKey is LWGLTPLSZLBPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O3/c1-3-23-11-10-17(22-23)13(2)21-19(24)18-9-8-16(26-18)12-25-15-6-4-14(20)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide has a molecular weight of 465.29 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19446050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).