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

C19H17F3N4O3 — CID 1046563

IUPAC[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3n2)cc1
InChIInChI=1S/C19H17F3N4O3/c1-28-13-4-2-12(3-5-13)14-10-16(19(20,21)22)26-17(23-14)11-15(24-26)18(27)25-6-8-29-9-7-25/h2-5,10-11H,6-9H2,1H3
InChIKeySSDUMWLLOFTZSK-UHFFFAOYSA-N
MW406.36 g/mol
LogP2.90
Rot. Bonds3

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

[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 1046563) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
PubChem CID1046563
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3n2)cc1
InChIInChI=1S/C19H17F3N4O3/c1-28-13-4-2-12(3-5-13)14-10-16(19(20,21)22)26-17(23-14)11-15(24-26)18(27)25-6-8-29-9-7-25/h2-5,10-11H,6-9H2,1H3
InChIKeySSDUMWLLOFTZSK-UHFFFAOYSA-N
XLogP2.90
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone (CID 1046563) is [5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone is COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3n2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SSDUMWLLOFTZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-28-13-4-2-12(3-5-13)14-10-16(19(20,21)22)26-17(23-14)11-15(24-26)18(27)25-6-8-29-9-7-25/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone?
[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 406.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1046563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).