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

C18H23N3O — CID 71869510

IUPAC2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESCc1cnc(CN2CCCC2CC(O)c2ccccc2)cn1
InChIInChI=1S/C18H23N3O/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/h2-4,6-7,11-12,17-18,22H,5,8-10,13H2,1H3
InChIKeyBFPYAWIHXQWPTL-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.87
Rot. Bonds5

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

2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol (PubChem CID 71869510) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
PubChem CID71869510
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESCc1cnc(CN2CCCC2CC(O)c2ccccc2)cn1
InChIInChI=1S/C18H23N3O/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/h2-4,6-7,11-12,17-18,22H,5,8-10,13H2,1H3
InChIKeyBFPYAWIHXQWPTL-UHFFFAOYSA-N
XLogP2.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 100859490
2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
CID 97320662
2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111497187
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321893
2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol
CID 111490186
(1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 124840043
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
5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 125136210
1-phenyl-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]ethanol
CID 111490240
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245
4-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanenitrile
CID 111490109

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol?
The IUPAC name of 2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol (CID 71869510) is 2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol.
What is the SMILES notation for 2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol?
The canonical SMILES for 2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol is Cc1cnc(CN2CCCC2CC(O)c2ccccc2)cn1.
What is the InChIKey of 2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol?
The InChIKey is BFPYAWIHXQWPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/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/h2-4,6-7,11-12,17-18,22H,5,8-10,13H2,1H3.
What are the key properties of 2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol?
2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol has a molecular weight of 297.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol is sourced from PubChem (CID 71869510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).