2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid

C11H12N2O2S — CID 121211968

IUPAC2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid
SMILESCCc1cc(-c2ccsc2)nn1CC(=O)O
InChIInChI=1S/C11H12N2O2S/c1-2-9-5-10(8-3-4-16-7-8)12-13(9)6-11(14)15/h3-5,7H,2,6H2,1H3,(H,14,15)
InChIKeyOPUJAWLTNWWXSB-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.26
Rot. Bonds4

About 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid

2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid (PubChem CID 121211968) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid
PubChem CID121211968
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid
SMILESCCc1cc(-c2ccsc2)nn1CC(=O)O
InChIInChI=1S/C11H12N2O2S/c1-2-9-5-10(8-3-4-16-7-8)12-13(9)6-11(14)15/h3-5,7H,2,6H2,1H3,(H,14,15)
InChIKeyOPUJAWLTNWWXSB-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(3-thiophen-3-ylindazol-1-yl)acetate
CID 73507126
Methyl 2-(3-thiophen-2-ylindazol-1-yl)acetate
CID 73506915
2-[(4-Methylphenyl)methyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]amino]acetic acid
CID 6625311
1-Heptyl-5-phenyl-3-thiophen-2-ylpyrazole
CID 177651491
2-[5-[5-(3-Methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 59631642
Methyl 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 59631798
2-[5-[5-(3-Methylsulfinylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 68655815
methyl 2-(5-(5-(3-(methylsulfonyl)phenyl)thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 89782771
methylthiomethyl 2-(5-(5-(3-(methylsulfonyl)phenyl)thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 117856963
Ethyl 2-[5-[5-(3-ethylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 117865665
Methylsulfanylmethyl 2-[5-[5-(3-ethylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 117865849
Dimethylaminosulfanylmethyl 2-[5-[5-(3-ethylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 132159578

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid (CID 121211968) is 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid is CCc1cc(-c2ccsc2)nn1CC(=O)O.
What is the InChIKey of 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid?
The InChIKey is OPUJAWLTNWWXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-9-5-10(8-3-4-16-7-8)12-13(9)6-11(14)15/h3-5,7H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid?
2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid has a molecular weight of 236.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 121211968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).