2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid

C9H14N2O4S — CID 25248551

IUPAC2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid
SMILESCCn1nc(C)cc1CS(=O)(=O)CC(=O)O
InChIInChI=1S/C9H14N2O4S/c1-3-11-8(4-7(2)10-11)5-16(14,15)6-9(12)13/h4H,3,5-6H2,1-2H3,(H,12,13)
InChIKeyBUPHHGRJBWMROD-UHFFFAOYSA-N
MW246.29 g/mol
LogP0.21
Rot. Bonds5

About 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid

2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid (PubChem CID 25248551) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid
PubChem CID25248551
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid
SMILESCCn1nc(C)cc1CS(=O)(=O)CC(=O)O
InChIInChI=1S/C9H14N2O4S/c1-3-11-8(4-7(2)10-11)5-16(14,15)6-9(12)13/h4H,3,5-6H2,1-2H3,(H,12,13)
InChIKeyBUPHHGRJBWMROD-UHFFFAOYSA-N
XLogP0.21
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid 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

2-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]acetic acid
CID 25248548
(2R)-2-acetamido-3-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]propanoic acid
CID 107774996
1-ethyl-5-(ethylsulfonylmethyl)pyrazole-3-carboxylic acid
CID 117217264
5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole
CID 81198093
1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine
CID 117217258
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone
CID 115779650
3-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]-4-methylaniline
CID 81190186
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid
CID 83149292
2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487287
1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylpentan-2-one
CID 115779757
1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid?
The IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid (CID 25248551) is 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid is CCn1nc(C)cc1CS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid?
The InChIKey is BUPHHGRJBWMROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-3-11-8(4-7(2)10-11)5-16(14,15)6-9(12)13/h4H,3,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid?
2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid has a molecular weight of 246.29 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid is sourced from PubChem (CID 25248551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).