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

C13H22IN3O — CID 19551972

IUPACN-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
SMILESCCCCCCNC(=O)CCn1ncc(I)c1C
InChIInChI=1S/C13H22IN3O/c1-3-4-5-6-8-15-13(18)7-9-17-11(2)12(14)10-16-17/h10H,3-9H2,1-2H3,(H,15,18)
InChIKeyOOCNTOYHNLAOAU-UHFFFAOYSA-N
MW363.24 g/mol
LogP2.88
Rot. Bonds8

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

N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide (PubChem CID 19551972) has the molecular formula C13H22IN3O and a molecular weight of 363.24 g/mol. Its IUPAC name is N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
PubChem CID19551972
Molecular FormulaC13H22IN3O
Molecular Weight363.24 g/mol
Exact Mass363.08
IUPAC NameN-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
SMILESCCCCCCNC(=O)CCn1ncc(I)c1C
InChIInChI=1S/C13H22IN3O/c1-3-4-5-6-8-15-13(18)7-9-17-11(2)12(14)10-16-17/h10H,3-9H2,1-2H3,(H,15,18)
InChIKeyOOCNTOYHNLAOAU-UHFFFAOYSA-N
XLogP2.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19552038
3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 19552223
4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19552342
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-butylpropanamide
CID 19561601
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002
3-(4-chloro-3-methylpyrazol-1-yl)-N-hexylpropanamide
CID 19543945
N-tetradecylpentanamide
CID 87172595
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide (CID 19551972) is N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide is CCCCCCNC(=O)CCn1ncc(I)c1C.
What is the InChIKey of N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The InChIKey is OOCNTOYHNLAOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3O/c1-3-4-5-6-8-15-13(18)7-9-17-11(2)12(14)10-16-17/h10H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide has a molecular weight of 363.24 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19551972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).