N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide

C13H13ClIN3O — CID 5299196

IUPACN-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cccc(Cl)c2)c(C)c1I
InChIInChI=1S/C13H13ClIN3O/c1-8-13(15)9(2)18(17-8)7-12(19)16-11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyYDTKGWNYYGMNCO-UHFFFAOYSA-N
MW389.62 g/mol
LogP3.40
Rot. Bonds3

About N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide

N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 5299196) has the molecular formula C13H13ClIN3O and a molecular weight of 389.62 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID5299196
Molecular FormulaC13H13ClIN3O
Molecular Weight389.62 g/mol
Exact Mass388.98
IUPAC NameN-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cccc(Cl)c2)c(C)c1I
InChIInChI=1S/C13H13ClIN3O/c1-8-13(15)9(2)18(17-8)7-12(19)16-11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyYDTKGWNYYGMNCO-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.62
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 43647452
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
CID 24844187
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxyphenyl)acetamide
CID 19525702
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-1-yl]acetamide
CID 9421628
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501703
3-(3-chlorophenyl)-N-[2-[[2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083734
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 43647566
N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50812888
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19525235

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide (CID 5299196) is N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(C)c1I.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is YDTKGWNYYGMNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClIN3O/c1-8-13(15)9(2)18(17-8)7-12(19)16-11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3,(H,16,19).
What are the key properties of N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide?
N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 389.62 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 5299196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).