(3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone

C26H24N4O2 — CID 121150004

IUPAC(3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C26H24N4O2/c31-26(22-12-7-13-24(16-22)32-19-20-8-3-1-4-9-20)29-15-14-23(17-29)30-18-25(27-28-30)21-10-5-2-6-11-21/h1-13,16,18,23H,14-15,17,19H2
InChIKeyPUZIECFHHFXAEB-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.61
Rot. Bonds6

About (3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone

(3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 121150004) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID121150004
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name(3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C26H24N4O2/c31-26(22-12-7-13-24(16-22)32-19-20-8-3-1-4-9-20)29-15-14-23(17-29)30-18-25(27-28-30)21-10-5-2-6-11-21/h1-13,16,18,23H,14-15,17,19H2
InChIKeyPUZIECFHHFXAEB-UHFFFAOYSA-N
XLogP4.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 121190511
(3-methylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150088
naphthalen-2-yl-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150080
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894
(3-methoxyphenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 91892206
(4-methoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149874
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121150019
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 86264897
(6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 99986952
(4-tert-butylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150086
(2,6-dimethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149915
(2-ethyl-1,3-benzothiazol-6-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150005

Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone (CID 121150004) is (3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone is O=C(c1cccc(OCc2ccccc2)c1)N1CCC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of (3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is PUZIECFHHFXAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-26(22-12-7-13-24(16-22)32-19-20-8-3-1-4-9-20)29-15-14-23(17-29)30-18-25(27-28-30)21-10-5-2-6-11-21/h1-13,16,18,23H,14-15,17,19H2.
What are the key properties of (3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
(3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 424.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121150004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).