N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C13H23N3O2 — CID 115409753

IUPACN-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NOCC(C)C
InChIInChI=1S/C13H23N3O2/c1-9(2)8-18-15-13(17)7-6-12-10(3)14-16(5)11(12)4/h9H,6-8H2,1-5H3,(H,15,17)
InChIKeyKDZIKHKHFZVIQN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.67
Rot. Bonds6

About N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 115409753) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID115409753
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NOCC(C)C
InChIInChI=1S/C13H23N3O2/c1-9(2)8-18-15-13(17)7-6-12-10(3)14-16(5)11(12)4/h9H,6-8H2,1-5H3,(H,15,17)
InChIKeyKDZIKHKHFZVIQN-UHFFFAOYSA-N
XLogP1.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)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

N-(1-aminopropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110834085
N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532619
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
N-[2-(methylamino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120831693
3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 43353725
N-(4-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 66106470
N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94796499
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 103895626
N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131933821
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 115409753) is N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NOCC(C)C.
What is the InChIKey of N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is KDZIKHKHFZVIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)8-18-15-13(17)7-6-12-10(3)14-16(5)11(12)4/h9H,6-8H2,1-5H3,(H,15,17).
What are the key properties of N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 253.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 115409753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).