2-(1-ethylpyrazol-4-yl)sulfanylacetic acid

C7H10N2O2S — CID 129450918

IUPAC2-(1-ethylpyrazol-4-yl)sulfanylacetic acid
SMILESCCn1cc(SCC(=O)O)cn1
InChIInChI=1S/C7H10N2O2S/c1-2-9-4-6(3-8-9)12-5-7(10)11/h3-4H,2,5H2,1H3,(H,10,11)
InChIKeyDPVZFEKYLFKOKW-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.08
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)sulfanylacetic acid

2-(1-ethylpyrazol-4-yl)sulfanylacetic acid (PubChem CID 129450918) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)sulfanylacetic acid
PubChem CID129450918
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-(1-ethylpyrazol-4-yl)sulfanylacetic acid
SMILESCCn1cc(SCC(=O)O)cn1
InChIInChI=1S/C7H10N2O2S/c1-2-9-4-6(3-8-9)12-5-7(10)11/h3-4H,2,5H2,1H3,(H,10,11)
InChIKeyDPVZFEKYLFKOKW-UHFFFAOYSA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
CID 103570340
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
2-[[5-cyclopropyl-4-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43543912
4-chloro-4-(1-ethylpyrazol-4-yl)butanoic acid
CID 103571317
2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid
CID 65056387
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
1-(1-methylpyrazol-4-yl)sulfanylbutan-2-one
CID 62041072
2-[(1-ethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 103570644
3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 115731312
N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide
CID 157036975
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)sulfanylacetic acid (CID 129450918) is 2-(1-ethylpyrazol-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)sulfanylacetic acid is CCn1cc(SCC(=O)O)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)sulfanylacetic acid?
The InChIKey is DPVZFEKYLFKOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-9-4-6(3-8-9)12-5-7(10)11/h3-4H,2,5H2,1H3,(H,10,11).
What are the key properties of 2-(1-ethylpyrazol-4-yl)sulfanylacetic acid?
2-(1-ethylpyrazol-4-yl)sulfanylacetic acid has a molecular weight of 186.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)sulfanylacetic acid is sourced from PubChem (CID 129450918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).