(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C24H21F3N4OS — CID 2008259

IUPAC(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc12
InChIInChI=1S/C24H21F3N4OS/c1-16-20-15-21(33-23(20)31(28-16)18-7-3-2-4-8-18)22(32)30-12-10-29(11-13-30)19-9-5-6-17(14-19)24(25,26)27/h2-9,14-15H,10-13H2,1H3
InChIKeyMUAMAIVHQYJGOT-UHFFFAOYSA-N
MW470.52 g/mol
LogP5.38
Rot. Bonds3

About (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 2008259) has the molecular formula C24H21F3N4OS and a molecular weight of 470.52 g/mol. Its IUPAC name is (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID2008259
Molecular FormulaC24H21F3N4OS
Molecular Weight470.52 g/mol
Exact Mass470.14
IUPAC Name(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc12
InChIInChI=1S/C24H21F3N4OS/c1-16-20-15-21(33-23(20)31(28-16)18-7-3-2-4-8-18)22(32)30-12-10-29(11-13-30)19-9-5-6-17(14-19)24(25,26)27/h2-9,14-15H,10-13H2,1H3
InChIKeyMUAMAIVHQYJGOT-UHFFFAOYSA-N
XLogP5.38
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 2008259) is (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc12.
What is the InChIKey of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is MUAMAIVHQYJGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4OS/c1-16-20-15-21(33-23(20)31(28-16)18-7-3-2-4-8-18)22(32)30-12-10-29(11-13-30)19-9-5-6-17(14-19)24(25,26)27/h2-9,14-15H,10-13H2,1H3.
What are the key properties of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 470.52 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2008259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).