3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C17H14F3N3S — CID 3680745

IUPAC3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFC(F)(F)c1ccccc1-n1nc(Cc2cccs2)c2c1NCC2
InChIInChI=1S/C17H14F3N3S/c18-17(19,20)13-5-1-2-6-15(13)23-16-12(7-8-21-16)14(22-23)10-11-4-3-9-24-11/h1-6,9,21H,7-8,10H2
InChIKeyQCWWOSPBGVHUPF-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.51
Rot. Bonds3

About 3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3680745) has the molecular formula C17H14F3N3S and a molecular weight of 349.38 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3680745
Molecular FormulaC17H14F3N3S
Molecular Weight349.38 g/mol
Exact Mass349.09
IUPAC Name3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFC(F)(F)c1ccccc1-n1nc(Cc2cccs2)c2c1NCC2
InChIInChI=1S/C17H14F3N3S/c18-17(19,20)13-5-1-2-6-15(13)23-16-12(7-8-21-16)14(22-23)10-11-4-3-9-24-11/h1-6,9,21H,7-8,10H2
InChIKeyQCWWOSPBGVHUPF-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3680745) is 3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is FC(F)(F)c1ccccc1-n1nc(Cc2cccs2)c2c1NCC2.
What is the InChIKey of 3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is QCWWOSPBGVHUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3S/c18-17(19,20)13-5-1-2-6-15(13)23-16-12(7-8-21-16)14(22-23)10-11-4-3-9-24-11/h1-6,9,21H,7-8,10H2.
What are the key properties of 3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 349.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3680745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).