4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole

C9H7F3N2S — CID 90983994

IUPAC4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1Cc1cccs1
InChIInChI=1S/C9H7F3N2S/c10-9(11,12)8-6(5-13-14-8)4-7-2-1-3-15-7/h1-3,5H,4H2,(H,13,14)
InChIKeyROHHQFVIESKHCW-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.08
Rot. Bonds2

About 4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole

4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 90983994) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID90983994
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1Cc1cccs1
InChIInChI=1S/C9H7F3N2S/c10-9(11,12)8-6(5-13-14-8)4-7-2-1-3-15-7/h1-3,5H,4H2,(H,13,14)
InChIKeyROHHQFVIESKHCW-UHFFFAOYSA-N
XLogP3.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole (CID 90983994) is 4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]ncc1Cc1cccs1.
What is the InChIKey of 4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ROHHQFVIESKHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c10-9(11,12)8-6(5-13-14-8)4-7-2-1-3-15-7/h1-3,5H,4H2,(H,13,14).
What are the key properties of 4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 232.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 90983994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).