3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide

C13H22IN3O2 — CID 19552223

IUPAC3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1c(I)cnn1CCC(=O)NCCCOC(C)C
InChIInChI=1S/C13H22IN3O2/c1-10(2)19-8-4-6-15-13(18)5-7-17-11(3)12(14)9-16-17/h9-10H,4-8H2,1-3H3,(H,15,18)
InChIKeyDJMVAMVJGCVIJY-UHFFFAOYSA-N
MW379.24 g/mol
LogP2.12
Rot. Bonds8

About 3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide

3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 19552223) has the molecular formula C13H22IN3O2 and a molecular weight of 379.24 g/mol. Its IUPAC name is 3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID19552223
Molecular FormulaC13H22IN3O2
Molecular Weight379.24 g/mol
Exact Mass379.08
IUPAC Name3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1c(I)cnn1CCC(=O)NCCCOC(C)C
InChIInChI=1S/C13H22IN3O2/c1-10(2)19-8-4-6-15-13(18)5-7-17-11(3)12(14)9-16-17/h9-10H,4-8H2,1-3H3,(H,15,18)
InChIKeyDJMVAMVJGCVIJY-UHFFFAOYSA-N
XLogP2.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19552038
N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551972
4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19552342
1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide
CID 104758377
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
4-(3,4-dimethylphenyl)-4-oxo-N-(3-propan-2-yloxypropyl)butanamide
CID 108796702
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 120558859
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 5099385
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002
2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 55685058

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide (CID 19552223) is 3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide is Cc1c(I)cnn1CCC(=O)NCCCOC(C)C.
What is the InChIKey of 3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is DJMVAMVJGCVIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3O2/c1-10(2)19-8-4-6-15-13(18)5-7-17-11(3)12(14)9-16-17/h9-10H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide?
3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 379.24 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 19552223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).