[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone

C18H15F3N4O — CID 647582

IUPAC[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCC1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)15-10-13(12-6-2-1-3-7-12)22-16-11-14(23-25(15)16)17(26)24-8-4-5-9-24/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeySINXQHBCJRIMRF-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.65
Rot. Bonds2

About [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone

[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 647582) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID647582
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCC1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)15-10-13(12-6-2-1-3-7-12)22-16-11-14(23-25(15)16)17(26)24-8-4-5-9-24/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeySINXQHBCJRIMRF-UHFFFAOYSA-N
XLogP3.65
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone (CID 647582) is [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCC1.
What is the InChIKey of [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SINXQHBCJRIMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-18(20,21)15-10-13(12-6-2-1-3-7-12)22-16-11-14(23-25(15)16)17(26)24-8-4-5-9-24/h1-3,6-7,10-11H,4-5,8-9H2.
What are the key properties of [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone?
[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 360.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 647582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).