4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole

C12H16N2S — CID 58458804

IUPAC4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole
SMILESCc1cc(C)c(-c2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H16N2S/c1-7-6-8(2)15-12(7)11-9(3)13-14(5)10(11)4/h6H,1-5H3
InChIKeyXVFVQCVPSSCLEG-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.38
Rot. Bonds1

About 4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole

4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole (PubChem CID 58458804) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole
PubChem CID58458804
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole
SMILESCc1cc(C)c(-c2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H16N2S/c1-7-6-8(2)15-12(7)11-9(3)13-14(5)10(11)4/h6H,1-5H3
InChIKeyXVFVQCVPSSCLEG-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole (CID 58458804) is 4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole is Cc1cc(C)c(-c2c(C)nn(C)c2C)s1.
What is the InChIKey of 4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole?
The InChIKey is XVFVQCVPSSCLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-7-6-8(2)15-12(7)11-9(3)13-14(5)10(11)4/h6H,1-5H3.
What are the key properties of 4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole?
4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole has a molecular weight of 220.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole is sourced from PubChem (CID 58458804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).