5-methyl-1-(thian-4-yl)pyrazole

C9H14N2S — CID 84732484

IUPAC5-methyl-1-(thian-4-yl)pyrazole
SMILESCc1ccnn1C1CCSCC1
InChIInChI=1S/C9H14N2S/c1-8-2-5-10-11(8)9-3-6-12-7-4-9/h2,5,9H,3-4,6-7H2,1H3
InChIKeyONFJOFQQRWDCPA-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.26
Rot. Bonds1

About 5-methyl-1-(thian-4-yl)pyrazole

5-methyl-1-(thian-4-yl)pyrazole (PubChem CID 84732484) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-methyl-1-(thian-4-yl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(thian-4-yl)pyrazole
PubChem CID84732484
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-methyl-1-(thian-4-yl)pyrazole
SMILESCc1ccnn1C1CCSCC1
InChIInChI=1S/C9H14N2S/c1-8-2-5-10-11(8)9-3-6-12-7-4-9/h2,5,9H,3-4,6-7H2,1H3
InChIKeyONFJOFQQRWDCPA-UHFFFAOYSA-N
XLogP2.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(thian-4-yl)pyrazole?
The IUPAC name of 5-methyl-1-(thian-4-yl)pyrazole (CID 84732484) is 5-methyl-1-(thian-4-yl)pyrazole.
What is the SMILES notation for 5-methyl-1-(thian-4-yl)pyrazole?
The canonical SMILES for 5-methyl-1-(thian-4-yl)pyrazole is Cc1ccnn1C1CCSCC1.
What is the InChIKey of 5-methyl-1-(thian-4-yl)pyrazole?
The InChIKey is ONFJOFQQRWDCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-8-2-5-10-11(8)9-3-6-12-7-4-9/h2,5,9H,3-4,6-7H2,1H3.
What are the key properties of 5-methyl-1-(thian-4-yl)pyrazole?
5-methyl-1-(thian-4-yl)pyrazole has a molecular weight of 182.29 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(thian-4-yl)pyrazole is sourced from PubChem (CID 84732484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).