N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide

C15H18IN3O2 — CID 19552009

IUPACN-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCn2ncc(I)c2C)cc1
InChIInChI=1S/C15H18IN3O2/c1-3-21-13-6-4-12(5-7-13)18-15(20)8-9-19-11(2)14(16)10-17-19/h4-7,10H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyKVYHZNHJTIDSKF-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.22
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide

N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide (PubChem CID 19552009) has the molecular formula C15H18IN3O2 and a molecular weight of 399.23 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
PubChem CID19552009
Molecular FormulaC15H18IN3O2
Molecular Weight399.23 g/mol
Exact Mass399.04
IUPAC NameN-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCn2ncc(I)c2C)cc1
InChIInChI=1S/C15H18IN3O2/c1-3-21-13-6-4-12(5-7-13)18-15(20)8-9-19-11(2)14(16)10-17-19/h4-7,10H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyKVYHZNHJTIDSKF-UHFFFAOYSA-N
XLogP3.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.22
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-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552136
3-(4-iodo-5-methylpyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19551980
N-(4-ethoxyphenyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566145
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19570101
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551987
N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700746
N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552093
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19568020

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide (CID 19552009) is N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide is CCOc1ccc(NC(=O)CCn2ncc(I)c2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The InChIKey is KVYHZNHJTIDSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O2/c1-3-21-13-6-4-12(5-7-13)18-15(20)8-9-19-11(2)14(16)10-17-19/h4-7,10H,3,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide has a molecular weight of 399.23 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19552009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).