1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine

C19H25F3N4O2S2 — CID 50839445

IUPAC1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H25F3N4O2S2/c1-13-17(12-16(29-13)15-11-18(24-23-15)19(20,21)22)30(27,28)26-9-7-25(8-10-26)14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3,(H,23,24)
InChIKeyXVIIQTNDWUOTIS-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.10
Rot. Bonds4

About 1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine

1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine (PubChem CID 50839445) has the molecular formula C19H25F3N4O2S2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine
PubChem CID50839445
Molecular FormulaC19H25F3N4O2S2
Molecular Weight462.56 g/mol
Exact Mass462.14
IUPAC Name1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H25F3N4O2S2/c1-13-17(12-16(29-13)15-11-18(24-23-15)19(20,21)22)30(27,28)26-9-7-25(8-10-26)14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3,(H,23,24)
InChIKeyXVIIQTNDWUOTIS-UHFFFAOYSA-N
XLogP4.10
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine?
The IUPAC name of 1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine (CID 50839445) is 1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine.
What is the SMILES notation for 1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine?
The canonical SMILES for 1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine is Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine?
The InChIKey is XVIIQTNDWUOTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O2S2/c1-13-17(12-16(29-13)15-11-18(24-23-15)19(20,21)22)30(27,28)26-9-7-25(8-10-26)14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3,(H,23,24).
What are the key properties of 1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine?
1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine has a molecular weight of 462.56 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine is sourced from PubChem (CID 50839445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).