[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

C14H15F3N4O3 — CID 56880306

IUPAC[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cnn2cc(CCO)cnc12)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H15F3N4O3/c15-14(16,17)11-8-20(2-4-24-11)13(23)10-6-19-21-7-9(1-3-22)5-18-12(10)21/h5-7,11,22H,1-4,8H2
InChIKeyWOIZQYUBDCIOHY-UHFFFAOYSA-N
MW344.29 g/mol
LogP0.67
Rot. Bonds3

About [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 56880306) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID56880306
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cnn2cc(CCO)cnc12)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H15F3N4O3/c15-14(16,17)11-8-20(2-4-24-11)13(23)10-6-19-21-7-9(1-3-22)5-18-12(10)21/h5-7,11,22H,1-4,8H2
InChIKeyWOIZQYUBDCIOHY-UHFFFAOYSA-N
XLogP0.67
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 56880306) is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(c1cnn2cc(CCO)cnc12)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is WOIZQYUBDCIOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c15-14(16,17)11-8-20(2-4-24-11)13(23)10-6-19-21-7-9(1-3-22)5-18-12(10)21/h5-7,11,22H,1-4,8H2.
What are the key properties of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 344.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56880306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).