[5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone

C17H17F3N6O2 — CID 19575864

IUPAC[5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3CCOCC3)c2n1
InChIInChI=1S/C17H17F3N6O2/c1-10-12(9-24(2)23-10)13-7-14(17(18,19)20)26-15(22-13)11(8-21-26)16(27)25-3-5-28-6-4-25/h7-9H,3-6H2,1-2H3
InChIKeyFGERIVJAAAHOQT-UHFFFAOYSA-N
MW394.36 g/mol
LogP1.93
Rot. Bonds2

About [5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone

[5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 19575864) has the molecular formula C17H17F3N6O2 and a molecular weight of 394.36 g/mol. Its IUPAC name is [5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
PubChem CID19575864
Molecular FormulaC17H17F3N6O2
Molecular Weight394.36 g/mol
Exact Mass394.14
IUPAC Name[5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3CCOCC3)c2n1
InChIInChI=1S/C17H17F3N6O2/c1-10-12(9-24(2)23-10)13-7-14(17(18,19)20)26-15(22-13)11(8-21-26)16(27)25-3-5-28-6-4-25/h7-9H,3-6H2,1-2H3
InChIKeyFGERIVJAAAHOQT-UHFFFAOYSA-N
XLogP1.93
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone (CID 19575864) is [5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone is Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3CCOCC3)c2n1.
What is the InChIKey of [5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is FGERIVJAAAHOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O2/c1-10-12(9-24(2)23-10)13-7-14(17(18,19)20)26-15(22-13)11(8-21-26)16(27)25-3-5-28-6-4-25/h7-9H,3-6H2,1-2H3.
What are the key properties of [5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone?
[5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 394.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 19575864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).