[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C15H20N6O2 — CID 91914174

IUPAC[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCN(C)c1nccnc1OC1CCN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C15H20N6O2/c1-19(2)13-14(17-8-7-16-13)23-11-5-9-21(10-11)15(22)12-4-6-18-20(12)3/h4,6-8,11H,5,9-10H2,1-3H3
InChIKeyXHPDJKXBFUDYFA-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.57
Rot. Bonds4

About [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91914174) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91914174
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCN(C)c1nccnc1OC1CCN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C15H20N6O2/c1-19(2)13-14(17-8-7-16-13)23-11-5-9-21(10-11)15(22)12-4-6-18-20(12)3/h4,6-8,11H,5,9-10H2,1-3H3
InChIKeyXHPDJKXBFUDYFA-UHFFFAOYSA-N
XLogP0.57
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 91914174) is [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is CN(C)c1nccnc1OC1CCN(C(=O)c2ccnn2C)C1.
What is the InChIKey of [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is XHPDJKXBFUDYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-19(2)13-14(17-8-7-16-13)23-11-5-9-21(10-11)15(22)12-4-6-18-20(12)3/h4,6-8,11H,5,9-10H2,1-3H3.
What are the key properties of [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 316.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91914174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).