2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol

C17H22F3N5O — CID 119070450

IUPAC2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESCc1nc(C(F)(F)F)ncc1CN1CCCC(c2ccn(CCO)n2)C1
InChIInChI=1S/C17H22F3N5O/c1-12-14(9-21-16(22-12)17(18,19)20)11-24-5-2-3-13(10-24)15-4-6-25(23-15)7-8-26/h4,6,9,13,26H,2-3,5,7-8,10-11H2,1H3
InChIKeyLMWASEPOUAVWQS-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.37
Rot. Bonds5

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

2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 119070450) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
PubChem CID119070450
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC Name2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESCc1nc(C(F)(F)F)ncc1CN1CCCC(c2ccn(CCO)n2)C1
InChIInChI=1S/C17H22F3N5O/c1-12-14(9-21-16(22-12)17(18,19)20)11-24-5-2-3-13(10-24)15-4-6-25(23-15)7-8-26/h4,6,9,13,26H,2-3,5,7-8,10-11H2,1H3
InChIKeyLMWASEPOUAVWQS-UHFFFAOYSA-N
XLogP2.37
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol (CID 119070450) is 2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol is Cc1nc(C(F)(F)F)ncc1CN1CCCC(c2ccn(CCO)n2)C1.
What is the InChIKey of 2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is LMWASEPOUAVWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-12-14(9-21-16(22-12)17(18,19)20)11-24-5-2-3-13(10-24)15-4-6-25(23-15)7-8-26/h4,6,9,13,26H,2-3,5,7-8,10-11H2,1H3.
What are the key properties of 2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 369.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 119070450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).