1-methylsulfanyl-5-propan-2-ylpyrazole

C7H12N2S — CID 170060430

IUPAC1-methylsulfanyl-5-propan-2-ylpyrazole
SMILESCSn1nccc1C(C)C
InChIInChI=1S/C7H12N2S/c1-6(2)7-4-5-8-9(7)10-3/h4-6H,1-3H3
InChIKeyALODSIUYHJLTCQ-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.13
Rot. Bonds2

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

1-methylsulfanyl-5-propan-2-ylpyrazole (PubChem CID 170060430) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-methylsulfanyl-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-methylsulfanyl-5-propan-2-ylpyrazole
PubChem CID170060430
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1-methylsulfanyl-5-propan-2-ylpyrazole
SMILESCSn1nccc1C(C)C
InChIInChI=1S/C7H12N2S/c1-6(2)7-4-5-8-9(7)10-3/h4-6H,1-3H3
InChIKeyALODSIUYHJLTCQ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-5-propan-2-ylpyrazole?
The IUPAC name of 1-methylsulfanyl-5-propan-2-ylpyrazole (CID 170060430) is 1-methylsulfanyl-5-propan-2-ylpyrazole.
What is the SMILES notation for 1-methylsulfanyl-5-propan-2-ylpyrazole?
The canonical SMILES for 1-methylsulfanyl-5-propan-2-ylpyrazole is CSn1nccc1C(C)C.
What is the InChIKey of 1-methylsulfanyl-5-propan-2-ylpyrazole?
The InChIKey is ALODSIUYHJLTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-6(2)7-4-5-8-9(7)10-3/h4-6H,1-3H3.
What are the key properties of 1-methylsulfanyl-5-propan-2-ylpyrazole?
1-methylsulfanyl-5-propan-2-ylpyrazole has a molecular weight of 156.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-5-propan-2-ylpyrazole is sourced from PubChem (CID 170060430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).