[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C20H26N4O — CID 95596963

IUPAC[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C20H26N4O/c1-22-19(11-12-21-22)20(25)24-14-6-10-18(24)17-9-5-13-23(17)15-16-7-3-2-4-8-16/h2-4,7-8,11-12,17-18H,5-6,9-10,13-15H2,1H3/t17-,18+/m0/s1
InChIKeyKHXJYFJSOFCHEM-ZWKOTPCHSA-N
MW338.45 g/mol
LogP2.69
Rot. Bonds4

About [(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 95596963) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID95596963
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C20H26N4O/c1-22-19(11-12-21-22)20(25)24-14-6-10-18(24)17-9-5-13-23(17)15-16-7-3-2-4-8-16/h2-4,7-8,11-12,17-18H,5-6,9-10,13-15H2,1H3/t17-,18+/m0/s1
InChIKeyKHXJYFJSOFCHEM-ZWKOTPCHSA-N
XLogP2.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 95323240
1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 95160990
1-[(2S)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 94816467
1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95160991
[2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119632620
1-[(2S,3aR,8aS)-4-(2-methylpyrazole-3-carbonyl)-2-phenyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-1-yl]ethanone
CID 110137405
(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 110270300
1-[2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 86768380
1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid
CID 131052375
[(3R,3aS,8aS)-3-phenyl-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[3,2-b]azepin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110137678
methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 79834097
[(3aR,6aS)-1-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(furan-2-yl)methanone
CID 97459164

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 95596963) is [(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of [(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is KHXJYFJSOFCHEM-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-19(11-12-21-22)20(25)24-14-6-10-18(24)17-9-5-13-23(17)15-16-7-3-2-4-8-16/h2-4,7-8,11-12,17-18H,5-6,9-10,13-15H2,1H3/t17-,18+/m0/s1.
What are the key properties of [(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 95596963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).