ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate

C11H19N3O2S — CID 66029241

IUPACethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate
SMILESCCCn1nc(C)c(N)c1SCC(=O)OCC
InChIInChI=1S/C11H19N3O2S/c1-4-6-14-11(10(12)8(3)13-14)17-7-9(15)16-5-2/h4-7,12H2,1-3H3
InChIKeyNDCPWABNFVXMKL-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.84
Rot. Bonds6

About ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate

ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate (PubChem CID 66029241) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate
PubChem CID66029241
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Nameethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate
SMILESCCCn1nc(C)c(N)c1SCC(=O)OCC
InChIInChI=1S/C11H19N3O2S/c1-4-6-14-11(10(12)8(3)13-14)17-7-9(15)16-5-2/h4-7,12H2,1-3H3
InChIKeyNDCPWABNFVXMKL-UHFFFAOYSA-N
XLogP1.84
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine
CID 66028474
3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine
CID 66028469
ethyl 2-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]sulfanylacetate
CID 63808561
ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate
CID 61381131
3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride
CID 50944289
ethyl 2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 19716000
ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate
CID 60812243
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-N-cyclopropylacetamide
CID 66029167
5-(2-ethoxy-2-oxoethyl)sulfanyl-N-hydroxy-1-methylimidazol-4-amine oxide
CID 21139649
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone
CID 43445180
ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate
CID 24705602
ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfanylpropylsulfanyl]acetate
CID 121219812

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate (CID 66029241) is ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate is CCCn1nc(C)c(N)c1SCC(=O)OCC.
What is the InChIKey of ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate?
The InChIKey is NDCPWABNFVXMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-6-14-11(10(12)8(3)13-14)17-7-9(15)16-5-2/h4-7,12H2,1-3H3.
What are the key properties of ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate?
ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate has a molecular weight of 257.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate is sourced from PubChem (CID 66029241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).