methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate

C12H14N2O2S — CID 121211967

IUPACmethyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate
SMILESCCc1cc(-c2ccsc2)nn1CC(=O)OC
InChIInChI=1S/C12H14N2O2S/c1-3-10-6-11(9-4-5-17-8-9)13-14(10)7-12(15)16-2/h4-6,8H,3,7H2,1-2H3
InChIKeyIRKCPVHGWIWMGD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate

methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate (PubChem CID 121211967) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate
PubChem CID121211967
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Namemethyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate
SMILESCCc1cc(-c2ccsc2)nn1CC(=O)OC
InChIInChI=1S/C12H14N2O2S/c1-3-10-6-11(9-4-5-17-8-9)13-14(10)7-12(15)16-2/h4-6,8H,3,7H2,1-2H3
InChIKeyIRKCPVHGWIWMGD-UHFFFAOYSA-N
XLogP2.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid
CID 121211968
2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine
CID 121211971
1-(1-ethyl-3-thiophen-3-ylpyrazol-5-yl)-N-methylmethanamine
CID 121211272
methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate
CID 67496798
N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide
CID 42879294
N-methyl-1-[1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-yl]methanamine
CID 121211275
1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine
CID 121211276
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde
CID 121211266
1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid
CID 121211165
methyl 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)acetate
CID 121213696
1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide
CID 42879297

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate?
The IUPAC name of methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate (CID 121211967) is methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate?
The canonical SMILES for methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate is CCc1cc(-c2ccsc2)nn1CC(=O)OC.
What is the InChIKey of methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate?
The InChIKey is IRKCPVHGWIWMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-10-6-11(9-4-5-17-8-9)13-14(10)7-12(15)16-2/h4-6,8H,3,7H2,1-2H3.
What are the key properties of methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate?
methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate has a molecular weight of 250.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate is sourced from PubChem (CID 121211967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).