N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide

C14H15ClIN3O — CID 19551954

IUPACN-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCn1ncc(I)c1C
InChIInChI=1S/C14H15ClIN3O/c1-9-11(15)4-3-5-13(9)18-14(20)6-7-19-10(2)12(16)8-17-19/h3-5,8H,6-7H2,1-2H3,(H,18,20)
InChIKeyCZTOFBQEJUXQDO-UHFFFAOYSA-N
MW403.65 g/mol
LogP3.79
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide

N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide (PubChem CID 19551954) has the molecular formula C14H15ClIN3O and a molecular weight of 403.65 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
PubChem CID19551954
Molecular FormulaC14H15ClIN3O
Molecular Weight403.65 g/mol
Exact Mass402.99
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCn1ncc(I)c1C
InChIInChI=1S/C14H15ClIN3O/c1-9-11(15)4-3-5-13(9)18-14(20)6-7-19-10(2)12(16)8-17-19/h3-5,8H,6-7H2,1-2H3,(H,18,20)
InChIKeyCZTOFBQEJUXQDO-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.65
LogP ≤ 53.79
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

N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552166
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19552278
N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794675
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551963
4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide
CID 19477154
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide (CID 19551954) is N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide is Cc1c(Cl)cccc1NC(=O)CCn1ncc(I)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The InChIKey is CZTOFBQEJUXQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClIN3O/c1-9-11(15)4-3-5-13(9)18-14(20)6-7-19-10(2)12(16)8-17-19/h3-5,8H,6-7H2,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide has a molecular weight of 403.65 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19551954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).