2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone

C16H23F3N4O2 — CID 136761303

IUPAC2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1
InChIInChI=1S/C16H23F3N4O2/c1-10-7-13(16(17,18)19)23-14(20-10)8-12(21-23)11-3-5-22(6-4-11)15(24)9-25-2/h8,10-11,13,20H,3-7,9H2,1-2H3/t10-,13-/m1/s1
InChIKeyKQDZQBJLXLPVQY-ZWNOBZJWSA-N
MW360.38 g/mol
LogP2.54
Rot. Bonds3

About 2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone

2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 136761303) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone
PubChem CID136761303
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1
InChIInChI=1S/C16H23F3N4O2/c1-10-7-13(16(17,18)19)23-14(20-10)8-12(21-23)11-3-5-22(6-4-11)15(24)9-25-2/h8,10-11,13,20H,3-7,9H2,1-2H3/t10-,13-/m1/s1
InChIKeyKQDZQBJLXLPVQY-ZWNOBZJWSA-N
XLogP2.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 136761303) is 2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is KQDZQBJLXLPVQY-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-10-7-13(16(17,18)19)23-14(20-10)8-12(21-23)11-3-5-22(6-4-11)15(24)9-25-2/h8,10-11,13,20H,3-7,9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of 2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 360.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 136761303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).