[5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

C19H17F3N4O2 — CID 137281322

IUPAC[5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc2nc(-c3ccc(O)cc3)cc(C(F)(F)F)n2n1)N1CCCCC1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)16-10-14(12-4-6-13(27)7-5-12)23-17-11-15(24-26(16)17)18(28)25-8-2-1-3-9-25/h4-7,10-11,27H,1-3,8-9H2
InChIKeySBZVPZBNGMNJIL-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.75
Rot. Bonds2

About [5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

[5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 137281322) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is [5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
PubChem CID137281322
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name[5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc2nc(-c3ccc(O)cc3)cc(C(F)(F)F)n2n1)N1CCCCC1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)16-10-14(12-4-6-13(27)7-5-12)23-17-11-15(24-26(16)17)18(28)25-8-2-1-3-9-25/h4-7,10-11,27H,1-3,8-9H2
InChIKeySBZVPZBNGMNJIL-UHFFFAOYSA-N
XLogP3.75
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 137281322) is [5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is O=C(c1cc2nc(-c3ccc(O)cc3)cc(C(F)(F)F)n2n1)N1CCCCC1.
What is the InChIKey of [5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is SBZVPZBNGMNJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)16-10-14(12-4-6-13(27)7-5-12)23-17-11-15(24-26(16)17)18(28)25-8-2-1-3-9-25/h4-7,10-11,27H,1-3,8-9H2.
What are the key properties of [5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
[5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 390.37 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 137281322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).