3-methylsulfanyl-4,5-dihydro-1H-pyrazole

C4H8N2S — CID 123430212

IUPAC3-methylsulfanyl-4,5-dihydro-1H-pyrazole
SMILESCSC1=NNCC1
InChIInChI=1S/C4H8N2S/c1-7-4-2-3-5-6-4/h5H,2-3H2,1H3
InChIKeyMWZBPXZDLPAYHR-UHFFFAOYSA-N
MW116.19 g/mol
LogP0.66
Rot. Bonds

About 3-methylsulfanyl-4,5-dihydro-1H-pyrazole

3-methylsulfanyl-4,5-dihydro-1H-pyrazole (PubChem CID 123430212) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is 3-methylsulfanyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-methylsulfanyl-4,5-dihydro-1H-pyrazole
PubChem CID123430212
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Name3-methylsulfanyl-4,5-dihydro-1H-pyrazole
SMILESCSC1=NNCC1
InChIInChI=1S/C4H8N2S/c1-7-4-2-3-5-6-4/h5H,2-3H2,1H3
InChIKeyMWZBPXZDLPAYHR-UHFFFAOYSA-N
XLogP0.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-methylsulfanyl-4,5-dihydro-1H-pyrazole (CID 123430212) is 3-methylsulfanyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-methylsulfanyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-methylsulfanyl-4,5-dihydro-1H-pyrazole is CSC1=NNCC1.
What is the InChIKey of 3-methylsulfanyl-4,5-dihydro-1H-pyrazole?
The InChIKey is MWZBPXZDLPAYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S/c1-7-4-2-3-5-6-4/h5H,2-3H2,1H3.
What are the key properties of 3-methylsulfanyl-4,5-dihydro-1H-pyrazole?
3-methylsulfanyl-4,5-dihydro-1H-pyrazole has a molecular weight of 116.19 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 123430212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).