[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C14H18N6O2 — CID 91914184

IUPAC[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCN(C)c1nccnc1OC1CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C14H18N6O2/c1-19(2)12-13(16-7-6-15-12)22-10-4-8-20(9-10)14(21)11-3-5-17-18-11/h3,5-7,10H,4,8-9H2,1-2H3,(H,17,18)
InChIKeyCDGXQAYDALFHDR-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.56
Rot. Bonds4

About [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 91914184) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID91914184
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCN(C)c1nccnc1OC1CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C14H18N6O2/c1-19(2)12-13(16-7-6-15-12)22-10-4-8-20(9-10)14(21)11-3-5-17-18-11/h3,5-7,10H,4,8-9H2,1-2H3,(H,17,18)
InChIKeyCDGXQAYDALFHDR-UHFFFAOYSA-N
XLogP0.56
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 91914184) is [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is CN(C)c1nccnc1OC1CCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is CDGXQAYDALFHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-19(2)12-13(16-7-6-15-12)22-10-4-8-20(9-10)14(21)11-3-5-17-18-11/h3,5-7,10H,4,8-9H2,1-2H3,(H,17,18).
What are the key properties of [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 302.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 91914184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).