2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

C15H19N5O2 — CID 110101383

IUPAC2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Cc2cnc(-c3ccn[nH]3)cn2)C1
InChIInChI=1S/C15H19N5O2/c1-22-10-15(21)20-5-3-11(9-20)6-12-7-17-14(8-16-12)13-2-4-18-19-13/h2,4,7-8,11H,3,5-6,9-10H2,1H3,(H,18,19)
InChIKeyJQQHQXIEMLZEIS-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.90
Rot. Bonds5

About 2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110101383) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID110101383
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Cc2cnc(-c3ccn[nH]3)cn2)C1
InChIInChI=1S/C15H19N5O2/c1-22-10-15(21)20-5-3-11(9-20)6-12-7-17-14(8-16-12)13-2-4-18-19-13/h2,4,7-8,11H,3,5-6,9-10H2,1H3,(H,18,19)
InChIKeyJQQHQXIEMLZEIS-UHFFFAOYSA-N
XLogP0.90
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124973600
2-methoxy-1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124984345
2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 125022006
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124994449
5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 125013381
2,2-dimethyl-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124972146
1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124971600
2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 110269320
1-[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124949279
1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 124989609
4-[5-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 124983560
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958196

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 110101383) is 2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is COCC(=O)N1CCC(Cc2cnc(-c3ccn[nH]3)cn2)C1.
What is the InChIKey of 2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is JQQHQXIEMLZEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-22-10-15(21)20-5-3-11(9-20)6-12-7-17-14(8-16-12)13-2-4-18-19-13/h2,4,7-8,11H,3,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of 2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 301.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110101383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).