3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

C17H20N2S — CID 18175478

IUPAC3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESCC(C)(C)c1ccc(C2=NNC(c3cccs3)C2)cc1
InChIInChI=1S/C17H20N2S/c1-17(2,3)13-8-6-12(7-9-13)14-11-15(19-18-14)16-5-4-10-20-16/h4-10,15,19H,11H2,1-3H3
InChIKeyBZJQIFPQQIWJOO-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.48
Rot. Bonds2

About 3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole (PubChem CID 18175478) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
PubChem CID18175478
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESCC(C)(C)c1ccc(C2=NNC(c3cccs3)C2)cc1
InChIInChI=1S/C17H20N2S/c1-17(2,3)13-8-6-12(7-9-13)14-11-15(19-18-14)16-5-4-10-20-16/h4-10,15,19H,11H2,1-3H3
InChIKeyBZJQIFPQQIWJOO-UHFFFAOYSA-N
XLogP4.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole (CID 18175478) is 3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole is CC(C)(C)c1ccc(C2=NNC(c3cccs3)C2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The InChIKey is BZJQIFPQQIWJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-17(2,3)13-8-6-12(7-9-13)14-11-15(19-18-14)16-5-4-10-20-16/h4-10,15,19H,11H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole has a molecular weight of 284.43 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 18175478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).