cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol

C18H22F3N3O — CID 66778762

IUPACcyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1
InChIInChI=1S/C18H22F3N3O/c1-2-15-14(17(25)12-6-4-3-5-7-12)11-24(23-15)16-9-8-13(10-22-16)18(19,20)21/h8-12,17,25H,2-7H2,1H3
InChIKeyRAJAQBCSWFKZND-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.46
Rot. Bonds4

About cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol

cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (PubChem CID 66778762) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
PubChem CID66778762
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Namecyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1
InChIInChI=1S/C18H22F3N3O/c1-2-15-14(17(25)12-6-4-3-5-7-12)11-24(23-15)16-9-8-13(10-22-16)18(19,20)21/h8-12,17,25H,2-7H2,1H3
InChIKeyRAJAQBCSWFKZND-UHFFFAOYSA-N
XLogP4.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The IUPAC name of cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (CID 66778762) is cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The canonical SMILES for cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is CCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The InChIKey is RAJAQBCSWFKZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-2-15-14(17(25)12-6-4-3-5-7-12)11-24(23-15)16-9-8-13(10-22-16)18(19,20)21/h8-12,17,25H,2-7H2,1H3.
What are the key properties of cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol has a molecular weight of 353.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66778762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).