N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide

C11H19N3OS — CID 106040607

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
SMILESCc1c(CNC(=O)C(S)C(C)C)cnn1C
InChIInChI=1S/C11H19N3OS/c1-7(2)10(16)11(15)12-5-9-6-13-14(4)8(9)3/h6-7,10,16H,5H2,1-4H3,(H,12,15)
InChIKeyRYRQTZZHWJUICT-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.30
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide (PubChem CID 106040607) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
PubChem CID106040607
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
SMILESCc1c(CNC(=O)C(S)C(C)C)cnn1C
InChIInChI=1S/C11H19N3OS/c1-7(2)10(16)11(15)12-5-9-6-13-14(4)8(9)3/h6-7,10,16H,5H2,1-4H3,(H,12,15)
InChIKeyRYRQTZZHWJUICT-UHFFFAOYSA-N
XLogP1.30
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide 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

3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225
2-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 106035313
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536899
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19537511
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide
CID 124845276
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106047403
N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide
CID 103859872
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
(2S)-2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylbutanamide
CID 106047350
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562440

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide (CID 106040607) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide is Cc1c(CNC(=O)C(S)C(C)C)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide?
The InChIKey is RYRQTZZHWJUICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)10(16)11(15)12-5-9-6-13-14(4)8(9)3/h6-7,10,16H,5H2,1-4H3,(H,12,15).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide has a molecular weight of 241.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide is sourced from PubChem (CID 106040607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).