2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone

C18H21N3O — CID 97320662

IUPAC2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
SMILESCc1cnc(CN2CCC[C@@H]2CC(=O)c2ccccc2)cn1
InChIInChI=1S/C18H21N3O/c1-14-11-20-16(12-19-14)13-21-9-5-8-17(21)10-18(22)15-6-3-2-4-7-15/h2-4,6-7,11-12,17H,5,8-10,13H2,1H3/t17-/m1/s1
InChIKeyHHAZUPGZBZEYQN-QGZVFWFLSA-N
MW295.39 g/mol
LogP3.02
Rot. Bonds5

About 2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone

2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone (PubChem CID 97320662) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
PubChem CID97320662
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
SMILESCc1cnc(CN2CCC[C@@H]2CC(=O)c2ccccc2)cn1
InChIInChI=1S/C18H21N3O/c1-14-11-20-16(12-19-14)13-21-9-5-8-17(21)10-18(22)15-6-3-2-4-7-15/h2-4,6-7,11-12,17H,5,8-10,13H2,1H3/t17-/m1/s1
InChIKeyHHAZUPGZBZEYQN-QGZVFWFLSA-N
XLogP3.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 71869510
2-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
CID 97320679
1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 98759002
6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 112748720
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine
CID 95609740
N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide
CID 75448267
2-methyl-5-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95609229
3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 124616194
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylpyrazine
CID 95750517
2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
CID 115529605
2-[1-(4-acetylbenzoyl)pyrrolidin-2-yl]-1-phenylethanone
CID 75425281

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone?
The IUPAC name of 2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone (CID 97320662) is 2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone is Cc1cnc(CN2CCC[C@@H]2CC(=O)c2ccccc2)cn1.
What is the InChIKey of 2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone?
The InChIKey is HHAZUPGZBZEYQN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-11-20-16(12-19-14)13-21-9-5-8-17(21)10-18(22)15-6-3-2-4-7-15/h2-4,6-7,11-12,17H,5,8-10,13H2,1H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone?
2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone has a molecular weight of 295.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone is sourced from PubChem (CID 97320662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).