2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol

C12H17ClF3N3O — CID 68556192

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(O)C1CCNCC1
InChIInChI=1S/C12H17ClF3N3O/c1-7-10(13)11(12(14,15)16)18-19(7)6-9(20)8-2-4-17-5-3-8/h8-9,17,20H,2-6H2,1H3
InChIKeyLCVZAIQLJCJTDL-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.22
Rot. Bonds3

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol (PubChem CID 68556192) has the molecular formula C12H17ClF3N3O and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol
PubChem CID68556192
Molecular FormulaC12H17ClF3N3O
Molecular Weight311.74 g/mol
Exact Mass311.10
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(O)C1CCNCC1
InChIInChI=1S/C12H17ClF3N3O/c1-7-10(13)11(12(14,15)16)18-19(7)6-9(20)8-2-4-17-5-3-8/h8-9,17,20H,2-6H2,1H3
InChIKeyLCVZAIQLJCJTDL-UHFFFAOYSA-N
XLogP2.22
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol (CID 68556192) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol is Cc1c(Cl)c(C(F)(F)F)nn1CC(O)C1CCNCC1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol?
The InChIKey is LCVZAIQLJCJTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3O/c1-7-10(13)11(12(14,15)16)18-19(7)6-9(20)8-2-4-17-5-3-8/h8-9,17,20H,2-6H2,1H3.
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol has a molecular weight of 311.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-4-ylethanol is sourced from PubChem (CID 68556192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).