N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide

C12H21N3O2 — CID 19537121

IUPACN-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide
SMILESCCOCCCNC(=O)C(C)n1ccc(C)n1
InChIInChI=1S/C12H21N3O2/c1-4-17-9-5-7-13-12(16)11(3)15-8-6-10(2)14-15/h6,8,11H,4-5,7,9H2,1-3H3,(H,13,16)
InChIKeyVKBHDLTUKGXZEE-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.30
Rot. Bonds7

About N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide

N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19537121) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide
PubChem CID19537121
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide
SMILESCCOCCCNC(=O)C(C)n1ccc(C)n1
InChIInChI=1S/C12H21N3O2/c1-4-17-9-5-7-13-12(16)11(3)15-8-6-10(2)14-15/h6,8,11H,4-5,7,9H2,1-3H3,(H,13,16)
InChIKeyVKBHDLTUKGXZEE-UHFFFAOYSA-N
XLogP1.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.30
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

2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489817
2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 60783044
N-cyclopentyl-2-(3-methylpyrazol-1-yl)propanamide
CID 19534188
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536949
(2R)-2-(3-methylpyrazol-1-yl)propanoate
CID 7018425
N-(3-ethoxypropyl)-2-methoxypropanamide
CID 115588519
N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038228
5-chloro-N-(3-ethoxypropyl)-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 51314224
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622068
3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide
CID 126839784
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536899

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide (CID 19537121) is N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide is CCOCCCNC(=O)C(C)n1ccc(C)n1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is VKBHDLTUKGXZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-17-9-5-7-13-12(16)11(3)15-8-6-10(2)14-15/h6,8,11H,4-5,7,9H2,1-3H3,(H,13,16).
What are the key properties of N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide?
N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 239.32 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19537121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).