4-propan-2-ylsulfanyl-1H-pyrazole

C6H10N2S — CID 58437112

IUPAC4-propan-2-ylsulfanyl-1H-pyrazole
SMILESCC(C)Sc1cn[nH]c1
InChIInChI=1S/C6H10N2S/c1-5(2)9-6-3-7-8-4-6/h3-5H,1-2H3,(H,7,8)
InChIKeyAOUDLJSGJVYGBF-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.91
Rot. Bonds2

About 4-propan-2-ylsulfanyl-1H-pyrazole

4-propan-2-ylsulfanyl-1H-pyrazole (PubChem CID 58437112) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4-propan-2-ylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name4-propan-2-ylsulfanyl-1H-pyrazole
PubChem CID58437112
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4-propan-2-ylsulfanyl-1H-pyrazole
SMILESCC(C)Sc1cn[nH]c1
InChIInChI=1S/C6H10N2S/c1-5(2)9-6-3-7-8-4-6/h3-5H,1-2H3,(H,7,8)
InChIKeyAOUDLJSGJVYGBF-UHFFFAOYSA-N
XLogP1.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfanyl-1H-pyrazole?
The IUPAC name of 4-propan-2-ylsulfanyl-1H-pyrazole (CID 58437112) is 4-propan-2-ylsulfanyl-1H-pyrazole.
What is the SMILES notation for 4-propan-2-ylsulfanyl-1H-pyrazole?
The canonical SMILES for 4-propan-2-ylsulfanyl-1H-pyrazole is CC(C)Sc1cn[nH]c1.
What is the InChIKey of 4-propan-2-ylsulfanyl-1H-pyrazole?
The InChIKey is AOUDLJSGJVYGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-5(2)9-6-3-7-8-4-6/h3-5H,1-2H3,(H,7,8).
What are the key properties of 4-propan-2-ylsulfanyl-1H-pyrazole?
4-propan-2-ylsulfanyl-1H-pyrazole has a molecular weight of 142.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfanyl-1H-pyrazole is sourced from PubChem (CID 58437112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).