5-methylsulfanyl-1H-pyrazole

C4H6N2S — CID 19871501

IUPAC5-methylsulfanyl-1H-pyrazole
SMILESCSc1ccn[nH]1
InChIInChI=1S/C4H6N2S/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
InChIKeyURVWZUYNMRNULP-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.13
Rot. Bonds1

About 5-methylsulfanyl-1H-pyrazole

5-methylsulfanyl-1H-pyrazole (PubChem CID 19871501) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is 5-methylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-methylsulfanyl-1H-pyrazole
PubChem CID19871501
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Name5-methylsulfanyl-1H-pyrazole
SMILESCSc1ccn[nH]1
InChIInChI=1S/C4H6N2S/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
InChIKeyURVWZUYNMRNULP-UHFFFAOYSA-N
XLogP1.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1H-pyrazole?
The IUPAC name of 5-methylsulfanyl-1H-pyrazole (CID 19871501) is 5-methylsulfanyl-1H-pyrazole.
What is the SMILES notation for 5-methylsulfanyl-1H-pyrazole?
The canonical SMILES for 5-methylsulfanyl-1H-pyrazole is CSc1ccn[nH]1.
What is the InChIKey of 5-methylsulfanyl-1H-pyrazole?
The InChIKey is URVWZUYNMRNULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6).
What are the key properties of 5-methylsulfanyl-1H-pyrazole?
5-methylsulfanyl-1H-pyrazole has a molecular weight of 114.17 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1H-pyrazole is sourced from PubChem (CID 19871501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).