N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide

C18H16IN3O2 — CID 60552699

IUPACN-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H16IN3O2/c19-15-6-8-17(9-7-15)24-13-18(23)21-16-10-20-22(12-16)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,21,23)
InChIKeyYYZFBSLSESUYPZ-UHFFFAOYSA-N
MW433.25 g/mol
LogP3.55
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide

N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide (PubChem CID 60552699) has the molecular formula C18H16IN3O2 and a molecular weight of 433.25 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide
PubChem CID60552699
Molecular FormulaC18H16IN3O2
Molecular Weight433.25 g/mol
Exact Mass433.03
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H16IN3O2/c19-15-6-8-17(9-7-15)24-13-18(23)21-16-10-20-22(12-16)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,21,23)
InChIKeyYYZFBSLSESUYPZ-UHFFFAOYSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpyrazol-4-yl)-2-(4-bromophenoxy)acetamide
CID 55947961
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
CID 19407577
2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19397606
2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744497
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
methyl 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19400604
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 60552750
2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide
CID 43543203
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide
CID 55947082
2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide
CID 55848282

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide (CID 60552699) is N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide is O=C(COc1ccc(I)cc1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide?
The InChIKey is YYZFBSLSESUYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IN3O2/c19-15-6-8-17(9-7-15)24-13-18(23)21-16-10-20-22(12-16)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,21,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide?
N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide has a molecular weight of 433.25 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 60552699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).