[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C16H22N6O2 — CID 91904388

IUPAC[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCCCN(C)c1nccnc1OC1CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C16H22N6O2/c1-3-9-21(2)14-15(18-8-7-17-14)24-12-5-10-22(11-12)16(23)13-4-6-19-20-13/h4,6-8,12H,3,5,9-11H2,1-2H3,(H,19,20)
InChIKeyCYYDDLQQCIGRED-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.34
Rot. Bonds6

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

[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 91904388) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID91904388
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCCCN(C)c1nccnc1OC1CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C16H22N6O2/c1-3-9-21(2)14-15(18-8-7-17-14)24-12-5-10-22(11-12)16(23)13-4-6-19-20-13/h4,6-8,12H,3,5,9-11H2,1-2H3,(H,19,20)
InChIKeyCYYDDLQQCIGRED-UHFFFAOYSA-N
XLogP1.34
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 91904388) is [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is CCCN(C)c1nccnc1OC1CCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is CYYDDLQQCIGRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-9-21(2)14-15(18-8-7-17-14)24-12-5-10-22(11-12)16(23)13-4-6-19-20-13/h4,6-8,12H,3,5,9-11H2,1-2H3,(H,19,20).
What are the key properties of [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 91904388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).