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

C17H20F3N3O — CID 66778670

IUPACcyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1
InChIInChI=1S/C17H20F3N3O/c1-11-14(16(24)12-5-3-2-4-6-12)10-23(22-11)15-8-7-13(9-21-15)17(18,19)20/h7-10,12,16,24H,2-6H2,1H3
InChIKeyVJKZXNAEAZXGMF-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.21
Rot. Bonds3

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

cyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (PubChem CID 66778670) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is cyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
PubChem CID66778670
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Namecyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1
InChIInChI=1S/C17H20F3N3O/c1-11-14(16(24)12-5-3-2-4-6-12)10-23(22-11)15-8-7-13(9-21-15)17(18,19)20/h7-10,12,16,24H,2-6H2,1H3
InChIKeyVJKZXNAEAZXGMF-UHFFFAOYSA-N
XLogP4.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The IUPAC name of cyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (CID 66778670) is cyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The canonical SMILES for cyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is Cc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The InChIKey is VJKZXNAEAZXGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-11-14(16(24)12-5-3-2-4-6-12)10-23(22-11)15-8-7-13(9-21-15)17(18,19)20/h7-10,12,16,24H,2-6H2,1H3.
What are the key properties of cyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
cyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol has a molecular weight of 339.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66778670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).