[5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone

C23H26N6O — CID 134611818

IUPAC[5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H]2C2CC(c3ccccc3)NN2)c1
InChIInChI=1S/C23H26N6O/c1-16-9-10-21(29-24-11-12-25-29)18(14-16)23(30)28-13-5-8-22(28)20-15-19(26-27-20)17-6-3-2-4-7-17/h2-4,6-7,9-12,14,19-20,22,26-27H,5,8,13,15H2,1H3/t19?,20?,22-/m0/s1
InChIKeyBZVOCJOBXWBVGN-AOMIVXANSA-N
MW402.50 g/mol
LogP2.79
Rot. Bonds4

About [5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone

[5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 134611818) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is [5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID134611818
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name[5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H]2C2CC(c3ccccc3)NN2)c1
InChIInChI=1S/C23H26N6O/c1-16-9-10-21(29-24-11-12-25-29)18(14-16)23(30)28-13-5-8-22(28)20-15-19(26-27-20)17-6-3-2-4-7-17/h2-4,6-7,9-12,14,19-20,22,26-27H,5,8,13,15H2,1H3/t19?,20?,22-/m0/s1
InChIKeyBZVOCJOBXWBVGN-AOMIVXANSA-N
XLogP2.79
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-methyl-2-(triazol-2-yl)phenyl]-[2-(1-phenyltriazol-4-yl)pyrrolidin-1-yl]methanone
CID 118355390
(2-methyl-1,3-oxazinan-3-yl)-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 137419861
[(2S)-2-[3-(2-ethylphenyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134611812
[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 138691153
[5-methyl-2-(triazol-2-yl)phenyl]-[2-(2-quinolin-2-ylethynyl)piperidin-1-yl]methanone
CID 71522462
[(2S)-2-[3-(2,3-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134686753
[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118355347
[5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 138691244
[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118355176
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 70226915
[2-(4-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118128251
[2-methyl-3-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90405505

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone (CID 134611818) is [5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H]2C2CC(c3ccccc3)NN2)c1.
What is the InChIKey of [5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is BZVOCJOBXWBVGN-AOMIVXANSA-N. The full InChI is InChI=1S/C23H26N6O/c1-16-9-10-21(29-24-11-12-25-29)18(14-16)23(30)28-13-5-8-22(28)20-15-19(26-27-20)17-6-3-2-4-7-17/h2-4,6-7,9-12,14,19-20,22,26-27H,5,8,13,15H2,1H3/t19?,20?,22-/m0/s1.
What are the key properties of [5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone?
[5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 402.50 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 134611818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).