1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole

C12H16N2S — CID 67260246

IUPAC1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole
SMILESCCCc1cc(-c2sccc2C)n(C)n1
InChIInChI=1S/C12H16N2S/c1-4-5-10-8-11(14(3)13-10)12-9(2)6-7-15-12/h6-8H,4-5H2,1-3H3
InChIKeyJQTXGNUTQQJTBD-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.41
Rot. Bonds3

About 1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole

1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole (PubChem CID 67260246) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole.

Molecular Properties

Compound Name1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole
PubChem CID67260246
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole
SMILESCCCc1cc(-c2sccc2C)n(C)n1
InChIInChI=1S/C12H16N2S/c1-4-5-10-8-11(14(3)13-10)12-9(2)6-7-15-12/h6-8H,4-5H2,1-3H3
InChIKeyJQTXGNUTQQJTBD-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole?
The IUPAC name of 1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole (CID 67260246) is 1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole.
What is the SMILES notation for 1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole?
The canonical SMILES for 1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole is CCCc1cc(-c2sccc2C)n(C)n1.
What is the InChIKey of 1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole?
The InChIKey is JQTXGNUTQQJTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-4-5-10-8-11(14(3)13-10)12-9(2)6-7-15-12/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole?
1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole has a molecular weight of 220.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole is sourced from PubChem (CID 67260246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).