5-methylsulfanyl-4-propan-2-yl-1H-pyrazole

C7H12N2S — CID 134442376

IUPAC5-methylsulfanyl-4-propan-2-yl-1H-pyrazole
SMILESCSc1[nH]ncc1C(C)C
InChIInChI=1S/C7H12N2S/c1-5(2)6-4-8-9-7(6)10-3/h4-5H,1-3H3,(H,8,9)
InChIKeyDZHYOHTVDJGJFN-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.26
Rot. Bonds2

About 5-methylsulfanyl-4-propan-2-yl-1H-pyrazole

5-methylsulfanyl-4-propan-2-yl-1H-pyrazole (PubChem CID 134442376) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-methylsulfanyl-4-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-methylsulfanyl-4-propan-2-yl-1H-pyrazole
PubChem CID134442376
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-methylsulfanyl-4-propan-2-yl-1H-pyrazole
SMILESCSc1[nH]ncc1C(C)C
InChIInChI=1S/C7H12N2S/c1-5(2)6-4-8-9-7(6)10-3/h4-5H,1-3H3,(H,8,9)
InChIKeyDZHYOHTVDJGJFN-UHFFFAOYSA-N
XLogP2.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-4-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-methylsulfanyl-4-propan-2-yl-1H-pyrazole (CID 134442376) is 5-methylsulfanyl-4-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-methylsulfanyl-4-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-methylsulfanyl-4-propan-2-yl-1H-pyrazole is CSc1[nH]ncc1C(C)C.
What is the InChIKey of 5-methylsulfanyl-4-propan-2-yl-1H-pyrazole?
The InChIKey is DZHYOHTVDJGJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5(2)6-4-8-9-7(6)10-3/h4-5H,1-3H3,(H,8,9).
What are the key properties of 5-methylsulfanyl-4-propan-2-yl-1H-pyrazole?
5-methylsulfanyl-4-propan-2-yl-1H-pyrazole has a molecular weight of 156.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-4-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 134442376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).