cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol

C17H21F3N2OS — CID 58955830

IUPACcyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
SMILESCc1c(-c2ccc(C(O)C3CCCCC3)s2)nn(C)c1C(F)(F)F
InChIInChI=1S/C17H21F3N2OS/c1-10-14(21-22(2)16(10)17(18,19)20)12-8-9-13(24-12)15(23)11-6-4-3-5-7-11/h8-9,11,15,23H,3-7H2,1-2H3
InChIKeyZTCJIDYIRRLPTJ-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.09
Rot. Bonds3

About cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol

cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol (PubChem CID 58955830) has the molecular formula C17H21F3N2OS and a molecular weight of 358.43 g/mol. Its IUPAC name is cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
PubChem CID58955830
Molecular FormulaC17H21F3N2OS
Molecular Weight358.43 g/mol
Exact Mass358.13
IUPAC Namecyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
SMILESCc1c(-c2ccc(C(O)C3CCCCC3)s2)nn(C)c1C(F)(F)F
InChIInChI=1S/C17H21F3N2OS/c1-10-14(21-22(2)16(10)17(18,19)20)12-8-9-13(24-12)15(23)11-6-4-3-5-7-11/h8-9,11,15,23H,3-7H2,1-2H3
InChIKeyZTCJIDYIRRLPTJ-UHFFFAOYSA-N
XLogP5.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
The IUPAC name of cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol (CID 58955830) is cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol.
What is the SMILES notation for cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
The canonical SMILES for cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol is Cc1c(-c2ccc(C(O)C3CCCCC3)s2)nn(C)c1C(F)(F)F.
What is the InChIKey of cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
The InChIKey is ZTCJIDYIRRLPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2OS/c1-10-14(21-22(2)16(10)17(18,19)20)12-8-9-13(24-12)15(23)11-6-4-3-5-7-11/h8-9,11,15,23H,3-7H2,1-2H3.
What are the key properties of cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol has a molecular weight of 358.43 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 58955830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).