2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide

C9H15N3OS — CID 56789935

IUPAC2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C9H15N3OS/c1-6(5-14-3)9(13)10-8-4-7(2)11-12-8/h4,6H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyCGBYVBRMCSKEGI-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.66
Rot. Bonds4

About 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide

2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide (PubChem CID 56789935) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
PubChem CID56789935
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C9H15N3OS/c1-6(5-14-3)9(13)10-8-4-7(2)11-12-8/h4,6H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyCGBYVBRMCSKEGI-UHFFFAOYSA-N
XLogP1.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide 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

Butanamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 5330971
3-Trifluoroacetylamino-5-methylpyrazole
CID 15312520
N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 5246311
N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681579
3-Methacroylamino-5-methylpyrazole
CID 15312519
2-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 177733257
3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-methylsulfanylpropa-1,2-dien-1-one
CID 134893472
3,3,3-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 60974181
4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 65711974
2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 79811010
2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 84593345
2,2,3,3-tetrafluoro-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 108055930

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide?
The IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide (CID 56789935) is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide is CSCC(C)C(=O)Nc1cc(C)[nH]n1.
What is the InChIKey of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide?
The InChIKey is CGBYVBRMCSKEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(5-14-3)9(13)10-8-4-7(2)11-12-8/h4,6H,5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide?
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide has a molecular weight of 213.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 56789935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).