methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate

C9H15N3O2S — CID 43617655

IUPACmethyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate
SMILESCOC(=O)CCSc1c(N)c(C)nn1C
InChIInChI=1S/C9H15N3O2S/c1-6-8(10)9(12(2)11-6)15-5-4-7(13)14-3/h4-5,10H2,1-3H3
InChIKeyWRHSNAWQCLMQEZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.97
Rot. Bonds4

About methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate

methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate (PubChem CID 43617655) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate
PubChem CID43617655
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Namemethyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate
SMILESCOC(=O)CCSc1c(N)c(C)nn1C
InChIInChI=1S/C9H15N3O2S/c1-6-8(10)9(12(2)11-6)15-5-4-7(13)14-3/h4-5,10H2,1-3H3
InChIKeyWRHSNAWQCLMQEZ-UHFFFAOYSA-N
XLogP0.97
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate 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 methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate?
The IUPAC name of methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate (CID 43617655) is methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate.
What is the SMILES notation for methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate?
The canonical SMILES for methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate is COC(=O)CCSc1c(N)c(C)nn1C.
What is the InChIKey of methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate?
The InChIKey is WRHSNAWQCLMQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-8(10)9(12(2)11-6)15-5-4-7(13)14-3/h4-5,10H2,1-3H3.
What are the key properties of methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate?
methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate has a molecular weight of 229.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate is sourced from PubChem (CID 43617655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).