3,5-dimethyl-1-thiophen-2-ylpyrazole

C9H10N2S — CID 23527869

IUPAC3,5-dimethyl-1-thiophen-2-ylpyrazole
SMILESCc1cc(C)n(-c2cccs2)n1
InChIInChI=1S/C9H10N2S/c1-7-6-8(2)11(10-7)9-4-3-5-12-9/h3-6H,1-2H3
InChIKeyTVKCWAXLFBBCAD-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.55
Rot. Bonds1

About 3,5-dimethyl-1-thiophen-2-ylpyrazole

3,5-dimethyl-1-thiophen-2-ylpyrazole (PubChem CID 23527869) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 3,5-dimethyl-1-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-thiophen-2-ylpyrazole
PubChem CID23527869
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name3,5-dimethyl-1-thiophen-2-ylpyrazole
SMILESCc1cc(C)n(-c2cccs2)n1
InChIInChI=1S/C9H10N2S/c1-7-6-8(2)11(10-7)9-4-3-5-12-9/h3-6H,1-2H3
InChIKeyTVKCWAXLFBBCAD-UHFFFAOYSA-N
XLogP2.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 174731394
3,5-Dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole
CID 102044361
5-Chloro-3-methyl-1-thiophen-2-ylpyrazole
CID 22179798
5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207277
3-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207650
3-Tert-butyl-5-methyl-1-thiophen-3-ylpyrazole
CID 68403618
3-Butyl-1-thiophen-2-ylpyrazole
CID 91251215
5-Butyl-1-thiophen-2-ylpyrazole
CID 91805763
3-Methyl-1-phenyl-5-thiophen-2-ylpyrazole
CID 142452070
3-Ethyl-1-phenyl-5-thiophen-2-ylpyrazole
CID 167094237
3-Chloro-5-methyl-1-thiophen-2-ylpyrazole
CID 173187505
3,5-Dimethyl-1-(5-nitrothiophen-2-yl)pyrazole
CID 12778222

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-thiophen-2-ylpyrazole?
The IUPAC name of 3,5-dimethyl-1-thiophen-2-ylpyrazole (CID 23527869) is 3,5-dimethyl-1-thiophen-2-ylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-thiophen-2-ylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-thiophen-2-ylpyrazole is Cc1cc(C)n(-c2cccs2)n1.
What is the InChIKey of 3,5-dimethyl-1-thiophen-2-ylpyrazole?
The InChIKey is TVKCWAXLFBBCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-7-6-8(2)11(10-7)9-4-3-5-12-9/h3-6H,1-2H3.
What are the key properties of 3,5-dimethyl-1-thiophen-2-ylpyrazole?
3,5-dimethyl-1-thiophen-2-ylpyrazole has a molecular weight of 178.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-thiophen-2-ylpyrazole is sourced from PubChem (CID 23527869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).