5-(4-methylthiophen-2-yl)-1-propylpyrazole

C11H14N2S — CID 67261668

IUPAC5-(4-methylthiophen-2-yl)-1-propylpyrazole
SMILESCCCn1nccc1-c1cc(C)cs1
InChIInChI=1S/C11H14N2S/c1-3-6-13-10(4-5-12-13)11-7-9(2)8-14-11/h4-5,7-8H,3,6H2,1-2H3
InChIKeyXLNLEEHCXLUGJZ-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.33
Rot. Bonds3

About 5-(4-methylthiophen-2-yl)-1-propylpyrazole

5-(4-methylthiophen-2-yl)-1-propylpyrazole (PubChem CID 67261668) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 5-(4-methylthiophen-2-yl)-1-propylpyrazole.

Molecular Properties

Compound Name5-(4-methylthiophen-2-yl)-1-propylpyrazole
PubChem CID67261668
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name5-(4-methylthiophen-2-yl)-1-propylpyrazole
SMILESCCCn1nccc1-c1cc(C)cs1
InChIInChI=1S/C11H14N2S/c1-3-6-13-10(4-5-12-13)11-7-9(2)8-14-11/h4-5,7-8H,3,6H2,1-2H3
InChIKeyXLNLEEHCXLUGJZ-UHFFFAOYSA-N
XLogP3.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylthiophen-2-yl)-1-propylpyrazole?
The IUPAC name of 5-(4-methylthiophen-2-yl)-1-propylpyrazole (CID 67261668) is 5-(4-methylthiophen-2-yl)-1-propylpyrazole.
What is the SMILES notation for 5-(4-methylthiophen-2-yl)-1-propylpyrazole?
The canonical SMILES for 5-(4-methylthiophen-2-yl)-1-propylpyrazole is CCCn1nccc1-c1cc(C)cs1.
What is the InChIKey of 5-(4-methylthiophen-2-yl)-1-propylpyrazole?
The InChIKey is XLNLEEHCXLUGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-6-13-10(4-5-12-13)11-7-9(2)8-14-11/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 5-(4-methylthiophen-2-yl)-1-propylpyrazole?
5-(4-methylthiophen-2-yl)-1-propylpyrazole has a molecular weight of 206.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylthiophen-2-yl)-1-propylpyrazole is sourced from PubChem (CID 67261668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).