cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol

C16H19F3N2OS — CID 58955827

IUPACcyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
SMILESCn1nc(-c2ccc(C(O)C3CCCCC3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H19F3N2OS/c1-21-14(16(17,18)19)9-11(20-21)12-7-8-13(23-12)15(22)10-5-3-2-4-6-10/h7-10,15,22H,2-6H2,1H3
InChIKeyPUUHOTLDIYGVBG-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.78
Rot. Bonds3

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

cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol (PubChem CID 58955827) has the molecular formula C16H19F3N2OS and a molecular weight of 344.40 g/mol. Its IUPAC name is cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
PubChem CID58955827
Molecular FormulaC16H19F3N2OS
Molecular Weight344.40 g/mol
Exact Mass344.12
IUPAC Namecyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
SMILESCn1nc(-c2ccc(C(O)C3CCCCC3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H19F3N2OS/c1-21-14(16(17,18)19)9-11(20-21)12-7-8-13(23-12)15(22)10-5-3-2-4-6-10/h7-10,15,22H,2-6H2,1H3
InChIKeyPUUHOTLDIYGVBG-UHFFFAOYSA-N
XLogP4.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
The IUPAC name of cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol (CID 58955827) is cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol.
What is the SMILES notation for cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
The canonical SMILES for cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol is Cn1nc(-c2ccc(C(O)C3CCCCC3)s2)cc1C(F)(F)F.
What is the InChIKey of cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
The InChIKey is PUUHOTLDIYGVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2OS/c1-21-14(16(17,18)19)9-11(20-21)12-7-8-13(23-12)15(22)10-5-3-2-4-6-10/h7-10,15,22H,2-6H2,1H3.
What are the key properties of cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol?
cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol has a molecular weight of 344.40 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 58955827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).