(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

C17H23N5O2 — CID 94120134

IUPAC(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C17H23N5O2/c1-3-21-12-19-20-16(21)11-18-17(23)22-9-5-8-15(22)13-6-4-7-14(10-13)24-2/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3,(H,18,23)/t15-/m1/s1
InChIKeySHGFAALMOJVQNS-OAHLLOKOSA-N
MW329.40 g/mol
LogP2.35
Rot. Bonds5

About (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 94120134) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID94120134
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C17H23N5O2/c1-3-21-12-19-20-16(21)11-18-17(23)22-9-5-8-15(22)13-6-4-7-14(10-13)24-2/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3,(H,18,23)/t15-/m1/s1
InChIKeySHGFAALMOJVQNS-OAHLLOKOSA-N
XLogP2.35
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 138994487
(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94122457
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124572131
N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 87052104
[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 155881600
2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 51084199
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 95126723
(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94031022
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
N-(5-hydroxy-4,4-dimethylpentyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 111755058
N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 166205678

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (CID 94120134) is (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCC[C@@H]1c1cccc(OC)c1.
What is the InChIKey of (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is SHGFAALMOJVQNS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-21-12-19-20-16(21)11-18-17(23)22-9-5-8-15(22)13-6-4-7-14(10-13)24-2/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3,(H,18,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94120134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).