N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide

C10H18N4OS — CID 60932429

IUPACN-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NCCCSC)cn1
InChIInChI=1S/C10H18N4OS/c1-11-10(15)8-14-7-9(6-13-14)12-4-3-5-16-2/h6-7,12H,3-5,8H2,1-2H3,(H,11,15)
InChIKeySNRAXQVOQQVTTO-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.79
Rot. Bonds7

About N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide

N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide (PubChem CID 60932429) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
PubChem CID60932429
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NCCCSC)cn1
InChIInChI=1S/C10H18N4OS/c1-11-10(15)8-14-7-9(6-13-14)12-4-3-5-16-2/h6-7,12H,3-5,8H2,1-2H3,(H,11,15)
InChIKeySNRAXQVOQQVTTO-UHFFFAOYSA-N
XLogP0.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
CID 54866489
2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide
CID 103087519
tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate
CID 115606254
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
CID 62760481
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
2-[4-[(3,5-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932423
2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide
CID 81419518
2-[4-[(2,4-difluorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931443
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 78928765
methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
CID 54904175
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide (CID 60932429) is N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(NCCCSC)cn1.
What is the InChIKey of N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide?
The InChIKey is SNRAXQVOQQVTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-11-10(15)8-14-7-9(6-13-14)12-4-3-5-16-2/h6-7,12H,3-5,8H2,1-2H3,(H,11,15).
What are the key properties of N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide?
N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide has a molecular weight of 242.35 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 60932429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).