N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C13H23N3O — CID 94532619

IUPACN-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCC[C@H](C)NC(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C13H23N3O/c1-6-9(2)14-13(17)8-7-12-10(3)15-16(5)11(12)4/h9H,6-8H2,1-5H3,(H,14,17)/t9-/m0/s1
InChIKeyFKPZKQXDAYVPJX-VIFPVBQESA-N
MW237.35 g/mol
LogP1.88
Rot. Bonds5

About N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 94532619) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID94532619
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCC[C@H](C)NC(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C13H23N3O/c1-6-9(2)14-13(17)8-7-12-10(3)15-16(5)11(12)4/h9H,6-8H2,1-5H3,(H,14,17)/t9-/m0/s1
InChIKeyFKPZKQXDAYVPJX-VIFPVBQESA-N
XLogP1.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-butan-2-yl]-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-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131933821
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 43353725
N-[2-(methylamino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120831693
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94815263
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 115409753
1-butan-2-yl-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110945595
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
N-(4-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 66106470

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 94532619) is N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is CC[C@H](C)NC(=O)CCc1c(C)nn(C)c1C.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is FKPZKQXDAYVPJX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-9(2)14-13(17)8-7-12-10(3)15-16(5)11(12)4/h9H,6-8H2,1-5H3,(H,14,17)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 237.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 94532619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).