[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone

C22H24N4O3 — CID 56894930

IUPAC[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
SMILESCOc1ccc(Cn2cc(C(=O)N3CCC(O)(c4ccccc4C)C3)nn2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-5-3-4-6-19(16)22(28)11-12-25(15-22)21(27)20-14-26(24-23-20)13-17-7-9-18(29-2)10-8-17/h3-10,14,28H,11-13,15H2,1-2H3
InChIKeyOOJMEQCYMAJRGF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.38
Rot. Bonds5

About [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone

[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone (PubChem CID 56894930) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
PubChem CID56894930
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
SMILESCOc1ccc(Cn2cc(C(=O)N3CCC(O)(c4ccccc4C)C3)nn2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-5-3-4-6-19(16)22(28)11-12-25(15-22)21(27)20-14-26(24-23-20)13-17-7-9-18(29-2)10-8-17/h3-10,14,28H,11-13,15H2,1-2H3
InChIKeyOOJMEQCYMAJRGF-UHFFFAOYSA-N
XLogP2.38
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
[(3R)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 97123907
[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97114823
(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone
CID 42415249
[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
CID 95557519
(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
CID 119402143
1-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021758
1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 45188655
(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055
N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 55512888
(1-benzyltriazol-4-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 95627873
(3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 125165700

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone?
The IUPAC name of [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone (CID 56894930) is [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone.
What is the SMILES notation for [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone?
The canonical SMILES for [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone is COc1ccc(Cn2cc(C(=O)N3CCC(O)(c4ccccc4C)C3)nn2)cc1.
What is the InChIKey of [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone?
The InChIKey is OOJMEQCYMAJRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-5-3-4-6-19(16)22(28)11-12-25(15-22)21(27)20-14-26(24-23-20)13-17-7-9-18(29-2)10-8-17/h3-10,14,28H,11-13,15H2,1-2H3.
What are the key properties of [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone?
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone is sourced from PubChem (CID 56894930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).