N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide

C11H19N3O2 — CID 19559507

IUPACN-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOCCCNC(=O)CCn1ccc(C)n1
InChIInChI=1S/C11H19N3O2/c1-10-4-7-14(13-10)8-5-11(15)12-6-3-9-16-2/h4,7H,3,5-6,8-9H2,1-2H3,(H,12,15)
InChIKeyUMIKIJWDDMMIRL-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.73
Rot. Bonds7

About N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide

N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19559507) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID19559507
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOCCCNC(=O)CCn1ccc(C)n1
InChIInChI=1S/C11H19N3O2/c1-10-4-7-14(13-10)8-5-11(15)12-6-3-9-16-2/h4,7H,3,5-6,8-9H2,1-2H3,(H,12,15)
InChIKeyUMIKIJWDDMMIRL-UHFFFAOYSA-N
XLogP0.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555927
N-[3-(3-methylpyrazol-1-yl)propyl]butanamide
CID 19323910
N-[1-(methoxymethyl)pyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559500
ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole
CID 103184144
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624167
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555724
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555756
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555876
N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 45106808
3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297962
N-(3-methoxypropyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84565197

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide (CID 19559507) is N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide is COCCCNC(=O)CCn1ccc(C)n1.
What is the InChIKey of N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is UMIKIJWDDMMIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-10-4-7-14(13-10)8-5-11(15)12-6-3-9-16-2/h4,7H,3,5-6,8-9H2,1-2H3,(H,12,15).
What are the key properties of N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide?
N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19559507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).