[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C17H20F3N5O2 — CID 122267658

IUPAC[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C17H20F3N5O2/c1-10-14(11(2)24(3)23-10)15(26)25-8-4-5-12(9-25)27-16-21-7-6-13(22-16)17(18,19)20/h6-7,12H,4-5,8-9H2,1-3H3
InChIKeyCOLQZWDUSVRDOB-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.53
Rot. Bonds3

About [3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 122267658) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is [3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID122267658
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C17H20F3N5O2/c1-10-14(11(2)24(3)23-10)15(26)25-8-4-5-12(9-25)27-16-21-7-6-13(22-16)17(18,19)20/h6-7,12H,4-5,8-9H2,1-3H3
InChIKeyCOLQZWDUSVRDOB-UHFFFAOYSA-N
XLogP2.53
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 122267658) is [3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of [3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is COLQZWDUSVRDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-10-14(11(2)24(3)23-10)15(26)25-8-4-5-12(9-25)27-16-21-7-6-13(22-16)17(18,19)20/h6-7,12H,4-5,8-9H2,1-3H3.
What are the key properties of [3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 383.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 122267658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).