3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C15H16N6O3 — CID 91626783

IUPAC3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCOc1nn(C)cc1C(=O)N1CCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C15H16N6O3/c1-20-9-11(13(19-20)23-2)15(22)21-6-3-10(8-21)24-14-12(7-16)17-4-5-18-14/h4-5,9-10H,3,6,8H2,1-2H3
InChIKeyMXROUTUGMMVIBO-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.38
Rot. Bonds4

About 3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 91626783) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID91626783
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCOc1nn(C)cc1C(=O)N1CCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C15H16N6O3/c1-20-9-11(13(19-20)23-2)15(22)21-6-3-10(8-21)24-14-12(7-16)17-4-5-18-14/h4-5,9-10H,3,6,8H2,1-2H3
InChIKeyMXROUTUGMMVIBO-UHFFFAOYSA-N
XLogP0.38
TPSA106.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626657
2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799026
3-[1-(2-ethoxypyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626812
3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755756
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478
3-[1-(3,4-dimethoxybenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636515
3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754469
3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636477
3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626791
3-[1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626816
3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755951
3-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636457

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 91626783) is 3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is COc1nn(C)cc1C(=O)N1CCC(Oc2nccnc2C#N)C1.
What is the InChIKey of 3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is MXROUTUGMMVIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-20-9-11(13(19-20)23-2)15(22)21-6-3-10(8-21)24-14-12(7-16)17-4-5-18-14/h4-5,9-10H,3,6,8H2,1-2H3.
What are the key properties of 3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 328.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91626783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).