5-methylsulfanyl-1-propan-2-ylpyrazole

C7H12N2S — CID 155374764

IUPAC5-methylsulfanyl-1-propan-2-ylpyrazole
SMILESCSc1ccnn1C(C)C
InChIInChI=1S/C7H12N2S/c1-6(2)9-7(10-3)4-5-8-9/h4-6H,1-3H3
InChIKeyFGNLVKOUBQPZNP-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.19
Rot. Bonds2

About 5-methylsulfanyl-1-propan-2-ylpyrazole

5-methylsulfanyl-1-propan-2-ylpyrazole (PubChem CID 155374764) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-methylsulfanyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-methylsulfanyl-1-propan-2-ylpyrazole
PubChem CID155374764
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-methylsulfanyl-1-propan-2-ylpyrazole
SMILESCSc1ccnn1C(C)C
InChIInChI=1S/C7H12N2S/c1-6(2)9-7(10-3)4-5-8-9/h4-6H,1-3H3
InChIKeyFGNLVKOUBQPZNP-UHFFFAOYSA-N
XLogP2.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-propan-2-ylpyrazole?
The IUPAC name of 5-methylsulfanyl-1-propan-2-ylpyrazole (CID 155374764) is 5-methylsulfanyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-methylsulfanyl-1-propan-2-ylpyrazole?
The canonical SMILES for 5-methylsulfanyl-1-propan-2-ylpyrazole is CSc1ccnn1C(C)C.
What is the InChIKey of 5-methylsulfanyl-1-propan-2-ylpyrazole?
The InChIKey is FGNLVKOUBQPZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-6(2)9-7(10-3)4-5-8-9/h4-6H,1-3H3.
What are the key properties of 5-methylsulfanyl-1-propan-2-ylpyrazole?
5-methylsulfanyl-1-propan-2-ylpyrazole has a molecular weight of 156.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 155374764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).