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

C8H12N2S — CID 143329294

IUPAC5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole
SMILESC=CSc1[nH]ncc1C(C)C
InChIInChI=1S/C8H12N2S/c1-4-11-8-7(6(2)3)5-9-10-8/h4-6H,1H2,2-3H3,(H,9,10)
InChIKeyVVWRVNASKDXREP-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.77
Rot. Bonds3

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

5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole (PubChem CID 143329294) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole
PubChem CID143329294
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole
SMILESC=CSc1[nH]ncc1C(C)C
InChIInChI=1S/C8H12N2S/c1-4-11-8-7(6(2)3)5-9-10-8/h4-6H,1H2,2-3H3,(H,9,10)
InChIKeyVVWRVNASKDXREP-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole (CID 143329294) is 5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole is C=CSc1[nH]ncc1C(C)C.
What is the InChIKey of 5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole?
The InChIKey is VVWRVNASKDXREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-4-11-8-7(6(2)3)5-9-10-8/h4-6H,1H2,2-3H3,(H,9,10).
What are the key properties of 5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole?
5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole has a molecular weight of 168.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 143329294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).