N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide

C15H16F2IN3O2 — CID 19552093

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2ncc(I)c2C)c(OC(F)F)c1
InChIInChI=1S/C15H16F2IN3O2/c1-9-3-4-12(13(7-9)23-15(16)17)20-14(22)5-6-21-10(2)11(18)8-19-21/h3-4,7-8,15H,5-6H2,1-2H3,(H,20,22)
InChIKeyNEFKZOXLHBFEOL-UHFFFAOYSA-N
MW435.21 g/mol
LogP3.73
Rot. Bonds6

About N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide

N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide (PubChem CID 19552093) has the molecular formula C15H16F2IN3O2 and a molecular weight of 435.21 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
PubChem CID19552093
Molecular FormulaC15H16F2IN3O2
Molecular Weight435.21 g/mol
Exact Mass435.03
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2ncc(I)c2C)c(OC(F)F)c1
InChIInChI=1S/C15H16F2IN3O2/c1-9-3-4-12(13(7-9)23-15(16)17)20-14(22)5-6-21-10(2)11(18)8-19-21/h3-4,7-8,15H,5-6H2,1-2H3,(H,20,22)
InChIKeyNEFKZOXLHBFEOL-UHFFFAOYSA-N
XLogP3.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.21
LogP ≤ 53.73
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-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522526
N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557669
N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551954
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide
CID 19551939
3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19554010
N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552009
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-methylphenyl]acetamide
CID 19526148
3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 19570193
N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551987
N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552207
3-(4-iodo-5-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19552070
N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474320

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide (CID 19552093) is N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide is Cc1ccc(NC(=O)CCn2ncc(I)c2C)c(OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The InChIKey is NEFKZOXLHBFEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2IN3O2/c1-9-3-4-12(13(7-9)23-15(16)17)20-14(22)5-6-21-10(2)11(18)8-19-21/h3-4,7-8,15H,5-6H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide has a molecular weight of 435.21 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19552093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).