[2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C21H18ClN3O — CID 53379502

IUPAC[2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC1c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H18ClN3O/c22-18-4-1-3-17(13-18)15-6-8-16(9-7-15)20-5-2-12-25(20)21(26)19-14-23-10-11-24-19/h1,3-4,6-11,13-14,20H,2,5,12H2
InChIKeyVDQFAOOAYANOKX-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.77
Rot. Bonds3

About [2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 53379502) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is [2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID53379502
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name[2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC1c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H18ClN3O/c22-18-4-1-3-17(13-18)15-6-8-16(9-7-15)20-5-2-12-25(20)21(26)19-14-23-10-11-24-19/h1,3-4,6-11,13-14,20H,2,5,12H2
InChIKeyVDQFAOOAYANOKX-UHFFFAOYSA-N
XLogP4.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669963
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 51253826
[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110099296
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 24809760
[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95116507
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
CID 122331182
[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 56666999
N-[[4-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095597
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 53379502) is [2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCC1c1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of [2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is VDQFAOOAYANOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c22-18-4-1-3-17(13-18)15-6-8-16(9-7-15)20-5-2-12-25(20)21(26)19-14-23-10-11-24-19/h1,3-4,6-11,13-14,20H,2,5,12H2.
What are the key properties of [2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 363.85 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 53379502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).