methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate

C10H15N3O3S — CID 54904175

IUPACmethyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)CCSC)cn1
InChIInChI=1S/C10H15N3O3S/c1-16-10(15)7-13-6-8(5-11-13)12-9(14)3-4-17-2/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyFLMAIZDZDUMXPS-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.75
Rot. Bonds6

About methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate

methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate (PubChem CID 54904175) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
PubChem CID54904175
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Namemethyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)CCSC)cn1
InChIInChI=1S/C10H15N3O3S/c1-16-10(15)7-13-6-8(5-11-13)12-9(14)3-4-17-2/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyFLMAIZDZDUMXPS-UHFFFAOYSA-N
XLogP0.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate
CID 61017975
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
methyl 2-[4-[[2-(thian-4-yl)acetyl]amino]pyrazol-1-yl]acetate
CID 80709747
methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate
CID 61017367
methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate
CID 61018002
methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate
CID 54904242
methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
CID 61457309
methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate
CID 93440590
methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate
CID 47291922
methyl 2-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]pyrazol-1-yl]acetate
CID 79166313
methyl 2-[4-[(3,4-dihydroxybenzoyl)amino]pyrazol-1-yl]acetate
CID 103956596
N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
CID 60932429

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate (CID 54904175) is methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate is COC(=O)Cn1cc(NC(=O)CCSC)cn1.
What is the InChIKey of methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate?
The InChIKey is FLMAIZDZDUMXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-16-10(15)7-13-6-8(5-11-13)12-9(14)3-4-17-2/h5-6H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate?
methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate has a molecular weight of 257.31 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate is sourced from PubChem (CID 54904175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).