(2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone

C17H22N6O3 — CID 91914182

IUPAC(2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(Oc2nccnc2N2CCOCC2)C1
InChIInChI=1S/C17H22N6O3/c1-21-14(2-4-20-21)17(24)23-7-3-13(12-23)26-16-15(18-5-6-19-16)22-8-10-25-11-9-22/h2,4-6,13H,3,7-12H2,1H3
InChIKeyCRPLPAPJFYLAPY-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.34
Rot. Bonds4

About (2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 91914182) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone
PubChem CID91914182
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name(2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(Oc2nccnc2N2CCOCC2)C1
InChIInChI=1S/C17H22N6O3/c1-21-14(2-4-20-21)17(24)23-7-3-13(12-23)26-16-15(18-5-6-19-16)22-8-10-25-11-9-22/h2,4-6,13H,3,7-12H2,1H3
InChIKeyCRPLPAPJFYLAPY-UHFFFAOYSA-N
XLogP0.34
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91914180
1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone
CID 91914199
[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110196219
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 172882287
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
(4-bromo-3-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 114683538
[4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91918286
[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95108110
[4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 82692044
3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755951
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100756385

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone (CID 91914182) is (2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone is Cn1nccc1C(=O)N1CCC(Oc2nccnc2N2CCOCC2)C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is CRPLPAPJFYLAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-21-14(2-4-20-21)17(24)23-7-3-13(12-23)26-16-15(18-5-6-19-16)22-8-10-25-11-9-22/h2,4-6,13H,3,7-12H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 358.40 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 91914182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).