methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate

C11H12N2O2S — CID 121213696

IUPACmethyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate
SMILESCOC(=O)Cc1cn(C)nc1-c1ccsc1
InChIInChI=1S/C11H12N2O2S/c1-13-6-9(5-10(14)15-2)11(12-13)8-3-4-16-7-8/h3-4,6-7H,5H2,1-2H3
InChIKeyWVJWMTRCDWIKTC-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.86
Rot. Bonds3

About methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate

methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate (PubChem CID 121213696) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate
PubChem CID121213696
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Namemethyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate
SMILESCOC(=O)Cc1cn(C)nc1-c1ccsc1
InChIInChI=1S/C11H12N2O2S/c1-13-6-9(5-10(14)15-2)11(12-13)8-3-4-16-7-8/h3-4,6-7H,5H2,1-2H3
InChIKeyWVJWMTRCDWIKTC-UHFFFAOYSA-N
XLogP1.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate (CID 121213696) is methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate is COC(=O)Cc1cn(C)nc1-c1ccsc1.
What is the InChIKey of methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate?
The InChIKey is WVJWMTRCDWIKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-13-6-9(5-10(14)15-2)11(12-13)8-3-4-16-7-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate?
methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate has a molecular weight of 236.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate is sourced from PubChem (CID 121213696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).