N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide

C9H15N3OS — CID 43546386

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C9H15N3OS/c1-6-9(7(2)12-11-6)10-8(13)4-5-14-3/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyGBFKPMKSBLQCHZ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.72
Rot. Bonds4

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide (PubChem CID 43546386) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide
PubChem CID43546386
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C9H15N3OS/c1-6-9(7(2)12-11-6)10-8(13)4-5-14-3/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyGBFKPMKSBLQCHZ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dimethyl-1H-pyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide (CID 43546386) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide is CSCCC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide?
The InChIKey is GBFKPMKSBLQCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-9(7(2)12-11-6)10-8(13)4-5-14-3/h4-5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide has a molecular weight of 213.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 43546386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).