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

C11H14N2S — CID 18188286

IUPAC5-butyl-3-thiophen-2-yl-1H-pyrazole
SMILESCCCCc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C11H14N2S/c1-2-3-5-9-8-10(13-12-9)11-6-4-7-14-11/h4,6-8H,2-3,5H2,1H3,(H,12,13)
InChIKeyRQDPKQQPSYFELF-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.48
Rot. Bonds4

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

5-butyl-3-thiophen-2-yl-1H-pyrazole (PubChem CID 18188286) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 5-butyl-3-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-butyl-3-thiophen-2-yl-1H-pyrazole
PubChem CID18188286
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name5-butyl-3-thiophen-2-yl-1H-pyrazole
SMILESCCCCc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C11H14N2S/c1-2-3-5-9-8-10(13-12-9)11-6-4-7-14-11/h4,6-8H,2-3,5H2,1H3,(H,12,13)
InChIKeyRQDPKQQPSYFELF-UHFFFAOYSA-N
XLogP3.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 5-butyl-3-thiophen-2-yl-1H-pyrazole (CID 18188286) is 5-butyl-3-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 5-butyl-3-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 5-butyl-3-thiophen-2-yl-1H-pyrazole is CCCCc1cc(-c2cccs2)n[nH]1.
What is the InChIKey of 5-butyl-3-thiophen-2-yl-1H-pyrazole?
The InChIKey is RQDPKQQPSYFELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-3-5-9-8-10(13-12-9)11-6-4-7-14-11/h4,6-8H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 5-butyl-3-thiophen-2-yl-1H-pyrazole?
5-butyl-3-thiophen-2-yl-1H-pyrazole has a molecular weight of 206.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 18188286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).