5-pentyl-3-thiophen-2-yl-1H-pyrazole

C12H16N2S — CID 18188288

IUPAC5-pentyl-3-thiophen-2-yl-1H-pyrazole
SMILESCCCCCc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C12H16N2S/c1-2-3-4-6-10-9-11(14-13-10)12-7-5-8-15-12/h5,7-9H,2-4,6H2,1H3,(H,13,14)
InChIKeySOQXLSVZJYEKJM-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.87
Rot. Bonds5

About 5-pentyl-3-thiophen-2-yl-1H-pyrazole

5-pentyl-3-thiophen-2-yl-1H-pyrazole (PubChem CID 18188288) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-pentyl-3-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-pentyl-3-thiophen-2-yl-1H-pyrazole
PubChem CID18188288
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5-pentyl-3-thiophen-2-yl-1H-pyrazole
SMILESCCCCCc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C12H16N2S/c1-2-3-4-6-10-9-11(14-13-10)12-7-5-8-15-12/h5,7-9H,2-4,6H2,1H3,(H,13,14)
InChIKeySOQXLSVZJYEKJM-UHFFFAOYSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-3-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 5-pentyl-3-thiophen-2-yl-1H-pyrazole (CID 18188288) is 5-pentyl-3-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 5-pentyl-3-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 5-pentyl-3-thiophen-2-yl-1H-pyrazole is CCCCCc1cc(-c2cccs2)n[nH]1.
What is the InChIKey of 5-pentyl-3-thiophen-2-yl-1H-pyrazole?
The InChIKey is SOQXLSVZJYEKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-3-4-6-10-9-11(14-13-10)12-7-5-8-15-12/h5,7-9H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 5-pentyl-3-thiophen-2-yl-1H-pyrazole?
5-pentyl-3-thiophen-2-yl-1H-pyrazole has a molecular weight of 220.34 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-3-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 18188288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).