2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid

C11H18N2O2S — CID 62408753

IUPAC2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid
SMILESCCc1cc(SCC(=O)O)n(CC(C)C)n1
InChIInChI=1S/C11H18N2O2S/c1-4-9-5-10(16-7-11(14)15)13(12-9)6-8(2)3/h5,8H,4,6-7H2,1-3H3,(H,14,15)
InChIKeyLAFJHXPMLPFDRP-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.28
Rot. Bonds6

About 2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid

2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid (PubChem CID 62408753) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid
PubChem CID62408753
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid
SMILESCCc1cc(SCC(=O)O)n(CC(C)C)n1
InChIInChI=1S/C11H18N2O2S/c1-4-9-5-10(16-7-11(14)15)13(12-9)6-8(2)3/h5,8H,4,6-7H2,1-3H3,(H,14,15)
InChIKeyLAFJHXPMLPFDRP-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic 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-(1-tert-butyl-3-ethylpyrazol-5-yl)sulfanylacetic acid
CID 62408168
2-[1-(3-methylbutyl)-3-propan-2-ylpyrazol-5-yl]sulfanylacetic acid
CID 55071202
2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid
CID 62408184
2-[3-ethyl-1-(2-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid
CID 62408165
2-[1-(1-cyclopropylethyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62408757
3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106
2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid
CID 83635686
2-(1-butan-2-yl-3-cyclopropylpyrazol-5-yl)sulfanylacetic acid
CID 63354577
2-[[5-(3-ethyl-1-methylpyrazol-5-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115391965
2-[[5-(1,3-diethylpyrazol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392678
4-(1,3-diethylpyrazol-5-yl)-2-methylbutanoic acid
CID 81007921
2-(5-chloro-3-ethylpyrazol-1-yl)acetic acid
CID 66015514

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid (CID 62408753) is 2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid is CCc1cc(SCC(=O)O)n(CC(C)C)n1.
What is the InChIKey of 2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid?
The InChIKey is LAFJHXPMLPFDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-9-5-10(16-7-11(14)15)13(12-9)6-8(2)3/h5,8H,4,6-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid?
2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid has a molecular weight of 242.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 62408753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).