[4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone

C20H20N4O2 — CID 56593032

IUPAC[4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)n1ncc(C(O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c25-19(23-13-7-8-14-23)24-21-15-18(22-24)20(26,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15,26H,7-8,13-14H2
InChIKeyREAFHLRFEYNRPD-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.63
Rot. Bonds3

About [4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone

[4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56593032) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56593032
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)n1ncc(C(O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c25-19(23-13-7-8-14-23)24-21-15-18(22-24)20(26,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15,26H,7-8,13-14H2
InChIKeyREAFHLRFEYNRPD-UHFFFAOYSA-N
XLogP2.63
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenyltriazol-2-yl)-pyrrolidin-1-ylmethanone
CID 56593025
[4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone
CID 56593029
4-[hydroxy(diphenyl)methyl]-N,N-diphenyltriazole-2-carboxamide
CID 56593127
(2-benzylpiperidin-1-yl)-[4-(1-hydroxy-1-phenylethyl)triazol-2-yl]methanone
CID 134131835
2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone
CID 6611667
pyrrolidin-1-yl(triphenylstannyl)methanone
CID 14028202
1-phenyl-2-piperidin-1-ylethane-1,2-dione;1,1,2,2-tetraphenylethane-1,2-diol
CID 139194610
azepan-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 116656264
(3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769502
(3S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769503
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone (CID 56593032) is [4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)n1ncc(C(O)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of [4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is REAFHLRFEYNRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(23-13-7-8-14-23)24-21-15-18(22-24)20(26,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15,26H,7-8,13-14H2.
What are the key properties of [4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone?
[4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56593032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).