5-(2-methylsulfinylethyl)-1H-pyrazole

C6H10N2OS — CID 137377880

IUPAC5-(2-methylsulfinylethyl)-1H-pyrazole
SMILESCS(=O)CCc1ccn[nH]1
InChIInChI=1S/C6H10N2OS/c1-10(9)5-3-6-2-4-7-8-6/h2,4H,3,5H2,1H3,(H,7,8)
InChIKeyXDGSRBHGHULXDH-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.33
Rot. Bonds3

About 5-(2-methylsulfinylethyl)-1H-pyrazole

5-(2-methylsulfinylethyl)-1H-pyrazole (PubChem CID 137377880) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 5-(2-methylsulfinylethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-methylsulfinylethyl)-1H-pyrazole
PubChem CID137377880
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name5-(2-methylsulfinylethyl)-1H-pyrazole
SMILESCS(=O)CCc1ccn[nH]1
InChIInChI=1S/C6H10N2OS/c1-10(9)5-3-6-2-4-7-8-6/h2,4H,3,5H2,1H3,(H,7,8)
InChIKeyXDGSRBHGHULXDH-UHFFFAOYSA-N
XLogP0.33
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromoethyl)-1H-pyrazole
CID 565479
2-(1H-pyrazol-5-yl)ethanethiol
CID 90977804
methyl-[2-(1H-pyrazol-5-yl)ethyl]borinic acid
CID 159593056
ethane;5-(2-methoxyethyl)-1H-pyrazole
CID 170603937
3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
CID 175345589
N-ethyl-2-(1H-pyrazol-5-yl)ethanamine
CID 57167438
5-hexyl-1H-pyrazole;hydrobromide
CID 174992148
3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide
CID 130652327
3-(1H-pyrazol-5-yl)propanenitrile
CID 59681732
5-[3-[3-(1H-pyrazol-5-yl)propoxy]propyl]-1H-pyrazole
CID 175090190
5-(3,3,3-trifluoropropyl)-1H-pyrazole
CID 122483416
5-(2,2,2-trideuterioethyl)-1H-pyrazole
CID 175719546

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfinylethyl)-1H-pyrazole?
The IUPAC name of 5-(2-methylsulfinylethyl)-1H-pyrazole (CID 137377880) is 5-(2-methylsulfinylethyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-methylsulfinylethyl)-1H-pyrazole?
The canonical SMILES for 5-(2-methylsulfinylethyl)-1H-pyrazole is CS(=O)CCc1ccn[nH]1.
What is the InChIKey of 5-(2-methylsulfinylethyl)-1H-pyrazole?
The InChIKey is XDGSRBHGHULXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-10(9)5-3-6-2-4-7-8-6/h2,4H,3,5H2,1H3,(H,7,8).
What are the key properties of 5-(2-methylsulfinylethyl)-1H-pyrazole?
5-(2-methylsulfinylethyl)-1H-pyrazole has a molecular weight of 158.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfinylethyl)-1H-pyrazole is sourced from PubChem (CID 137377880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).