(2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide

C20H21N5O2 — CID 97252833

IUPAC(2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C20H21N5O2/c1-27-16-11-9-15(10-12-16)21-20(26)25-13-5-8-17(25)19-22-18(23-24-19)14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,21,26)(H,22,23,24)/t17-/m1/s1
InChIKeyYMIMNCLKBRFLNW-QGZVFWFLSA-N
MW363.42 g/mol
LogP3.85
Rot. Bonds4

About (2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide

(2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 97252833) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID97252833
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C20H21N5O2/c1-27-16-11-9-15(10-12-16)21-20(26)25-13-5-8-17(25)19-22-18(23-24-19)14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,21,26)(H,22,23,24)/t17-/m1/s1
InChIKeyYMIMNCLKBRFLNW-QGZVFWFLSA-N
XLogP3.85
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 3231348
N-(4-methoxyphenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 175373981
(2S)-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 91904920
2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
5-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 127712850
(2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 120873617
(2-methoxy-3-pyridinyl)-[(2R)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 97063239
(3S)-3-hydroxy-4-methyl-1-[(2R)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 99776576
(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 7412499
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(1-phenylcyclopropyl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052044
[(2R)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97252746

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide (CID 97252833) is (2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is YMIMNCLKBRFLNW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-16-11-9-15(10-12-16)21-20(26)25-13-5-8-17(25)19-22-18(23-24-19)14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,21,26)(H,22,23,24)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide?
(2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97252833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).