[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone

C24H21ClN4O — CID 26407162

IUPAC[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
SMILESO=C(c1cn(Cc2cccc3ccccc23)nn1)N1CC[C@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C24H21ClN4O/c25-21-9-4-7-18(13-21)19-11-12-28(14-19)24(30)23-16-29(27-26-23)15-20-8-3-6-17-5-1-2-10-22(17)20/h1-10,13,16,19H,11-12,14-15H2/t19-/m0/s1
InChIKeyDMDZXQOTJOAADR-IBGZPJMESA-N
MW416.91 g/mol
LogP4.76
Rot. Bonds4

About [(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone

[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone (PubChem CID 26407162) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is [(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
PubChem CID26407162
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
SMILESO=C(c1cn(Cc2cccc3ccccc23)nn1)N1CC[C@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C24H21ClN4O/c25-21-9-4-7-18(13-21)19-11-12-28(14-19)24(30)23-16-29(27-26-23)15-20-8-3-6-17-5-1-2-10-22(17)20/h1-10,13,16,19H,11-12,14-15H2/t19-/m0/s1
InChIKeyDMDZXQOTJOAADR-IBGZPJMESA-N
XLogP4.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 25279493
[1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 42212158
[1-[(2-methylphenyl)methyl]triazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 25449029
[1-[(2-chloro-4-fluorophenyl)methyl]triazol-4-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 25294819
[1-[(2-chloro-4-fluorophenyl)methyl]triazol-4-yl]-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 25294824
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42194310
[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45176404
[(3R)-3-(4-chlorophenyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]triazol-4-yl]methanone
CID 25306511
5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 166204209
[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42519464
[1-[(2-chloro-4-fluorophenyl)methyl]triazol-4-yl]-[(3R)-3-(2-methylphenyl)piperidin-1-yl]methanone
CID 25479906
(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886791

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone?
The IUPAC name of [(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone (CID 26407162) is [(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone is O=C(c1cn(Cc2cccc3ccccc23)nn1)N1CC[C@H](c2cccc(Cl)c2)C1.
What is the InChIKey of [(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone?
The InChIKey is DMDZXQOTJOAADR-IBGZPJMESA-N. The full InChI is InChI=1S/C24H21ClN4O/c25-21-9-4-7-18(13-21)19-11-12-28(14-19)24(30)23-16-29(27-26-23)15-20-8-3-6-17-5-1-2-10-22(17)20/h1-10,13,16,19H,11-12,14-15H2/t19-/m0/s1.
What are the key properties of [(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone?
[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone has a molecular weight of 416.91 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone is sourced from PubChem (CID 26407162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).