3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole

C15H15FN2S — CID 135179546

IUPAC3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole
SMILESCC(C)(C)c1cccc(-c2n[nH]c3ccsc23)c1F
InChIInChI=1S/C15H15FN2S/c1-15(2,3)10-6-4-5-9(12(10)16)13-14-11(17-18-13)7-8-19-14/h4-8H,1-3H3,(H,17,18)
InChIKeySBKAVQYQISKQMB-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.73
Rot. Bonds1

About 3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole

3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole (PubChem CID 135179546) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole.

Molecular Properties

Compound Name3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole
PubChem CID135179546
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole
SMILESCC(C)(C)c1cccc(-c2n[nH]c3ccsc23)c1F
InChIInChI=1S/C15H15FN2S/c1-15(2,3)10-6-4-5-9(12(10)16)13-14-11(17-18-13)7-8-19-14/h4-8H,1-3H3,(H,17,18)
InChIKeySBKAVQYQISKQMB-UHFFFAOYSA-N
XLogP4.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole?
The IUPAC name of 3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole (CID 135179546) is 3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole.
What is the SMILES notation for 3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole?
The canonical SMILES for 3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole is CC(C)(C)c1cccc(-c2n[nH]c3ccsc23)c1F.
What is the InChIKey of 3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole?
The InChIKey is SBKAVQYQISKQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-15(2,3)10-6-4-5-9(12(10)16)13-14-11(17-18-13)7-8-19-14/h4-8H,1-3H3,(H,17,18).
What are the key properties of 3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole?
3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole has a molecular weight of 274.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole is sourced from PubChem (CID 135179546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).