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

C17H22F3N5O2 — CID 56717116

IUPAC[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCOC(C(F)(F)F)C3)cnn2c1
InChIInChI=1S/C17H22F3N5O2/c1-3-23(4-2)9-12-7-21-15-13(8-22-25(15)10-12)16(26)24-5-6-27-14(11-24)17(18,19)20/h7-8,10,14H,3-6,9,11H2,1-2H3
InChIKeyXIRXKVQZFDDMAF-UHFFFAOYSA-N
MW385.39 g/mol
LogP1.97
Rot. Bonds5

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

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 56717116) has the molecular formula C17H22F3N5O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID56717116
Molecular FormulaC17H22F3N5O2
Molecular Weight385.39 g/mol
Exact Mass385.17
IUPAC Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCOC(C(F)(F)F)C3)cnn2c1
InChIInChI=1S/C17H22F3N5O2/c1-3-23(4-2)9-12-7-21-15-13(8-22-25(15)10-12)16(26)24-5-6-27-14(11-24)17(18,19)20/h7-8,10,14H,3-6,9,11H2,1-2H3
InChIKeyXIRXKVQZFDDMAF-UHFFFAOYSA-N
XLogP1.97
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 56717116) is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is CCN(CC)Cc1cnc2c(C(=O)N3CCOC(C(F)(F)F)C3)cnn2c1.
What is the InChIKey of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is XIRXKVQZFDDMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O2/c1-3-23(4-2)9-12-7-21-15-13(8-22-25(15)10-12)16(26)24-5-6-27-14(11-24)17(18,19)20/h7-8,10,14H,3-6,9,11H2,1-2H3.
What are the key properties of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 385.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56717116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).