3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole

C14H14N2S2 — CID 102044361

IUPAC3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole
SMILESCc1cc(C)n(-c2ccc(-c3ccc(C)s3)s2)n1
InChIInChI=1S/C14H14N2S2/c1-9-8-10(2)16(15-9)14-7-6-13(18-14)12-5-4-11(3)17-12/h4-8H,1-3H3
InChIKeyCTMAHFYRRQDIJF-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.59
Rot. Bonds2

About 3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole

3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole (PubChem CID 102044361) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole
PubChem CID102044361
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole
SMILESCc1cc(C)n(-c2ccc(-c3ccc(C)s3)s2)n1
InChIInChI=1S/C14H14N2S2/c1-9-8-10(2)16(15-9)14-7-6-13(18-14)12-5-4-11(3)17-12/h4-8H,1-3H3
InChIKeyCTMAHFYRRQDIJF-UHFFFAOYSA-N
XLogP4.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole (CID 102044361) is 3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole is Cc1cc(C)n(-c2ccc(-c3ccc(C)s3)s2)n1.
What is the InChIKey of 3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole?
The InChIKey is CTMAHFYRRQDIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-9-8-10(2)16(15-9)14-7-6-13(18-14)12-5-4-11(3)17-12/h4-8H,1-3H3.
What are the key properties of 3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole?
3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole has a molecular weight of 274.41 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole is sourced from PubChem (CID 102044361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).