ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate

C13H21N3O2S — CID 62402359

IUPACethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate
SMILESCCOC(=O)C(CSc1cc(C)nn1C)NC1CC1
InChIInChI=1S/C13H21N3O2S/c1-4-18-13(17)11(14-10-5-6-10)8-19-12-7-9(2)15-16(12)3/h7,10-11,14H,4-6,8H2,1-3H3
InChIKeyMZDSCSSBERRKJM-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.50
Rot. Bonds7

About ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate

ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate (PubChem CID 62402359) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate
PubChem CID62402359
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate
SMILESCCOC(=O)C(CSc1cc(C)nn1C)NC1CC1
InChIInChI=1S/C13H21N3O2S/c1-4-18-13(17)11(14-10-5-6-10)8-19-12-7-9(2)15-16(12)3/h7,10-11,14H,4-6,8H2,1-3H3
InChIKeyMZDSCSSBERRKJM-UHFFFAOYSA-N
XLogP1.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-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

Related Compounds

CID 55070496
CID 55070496
CID 55070497
CID 55070497
CID 55070541
CID 55070541
CID 55071110
CID 55071110
CID 55071111
CID 55071111
CID 55071112
CID 55071112
CID 55071159
CID 55071159
CID 55071160
CID 55071160
CID 55071161
CID 55071161
CID 55091947
CID 55091947
CID 55092602
CID 55092602
CID 55092702
CID 55092702

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate (CID 62402359) is ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate is CCOC(=O)C(CSc1cc(C)nn1C)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate?
The InChIKey is MZDSCSSBERRKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-18-13(17)11(14-10-5-6-10)8-19-12-7-9(2)15-16(12)3/h7,10-11,14H,4-6,8H2,1-3H3.
What are the key properties of ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate?
ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate has a molecular weight of 283.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanoate is sourced from PubChem (CID 62402359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).