1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide

C21H21N5O2 — CID 136525808

IUPAC1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C21H21N5O2/c27-19(12-15-6-2-1-3-7-15)26-11-5-10-18(26)21(28)24-17-9-4-8-16(13-17)20-22-14-23-25-20/h1-4,6-9,13-14,18H,5,10-12H2,(H,24,28)(H,22,23,25)
InChIKeyMIFQJUBDIRXZFR-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.64
Rot. Bonds5

About 1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide

1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 136525808) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID136525808
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C21H21N5O2/c27-19(12-15-6-2-1-3-7-15)26-11-5-10-18(26)21(28)24-17-9-4-8-16(13-17)20-22-14-23-25-20/h1-4,6-9,13-14,18H,5,10-12H2,(H,24,28)(H,22,23,25)
InChIKeyMIFQJUBDIRXZFR-UHFFFAOYSA-N
XLogP2.64
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 47727451
N-(3-methylsulfonylphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47720811
(2S)-1-(2-phenylacetyl)-N-[4-[6-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 66833562
(2S)-1-(2-phenylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58533068
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
(2S)-1-butanoyl-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 125139648
N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47722251
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 69025750

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide (CID 136525808) is 1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(-c2ncn[nH]2)c1)C1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MIFQJUBDIRXZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-19(12-15-6-2-1-3-7-15)26-11-5-10-18(26)21(28)24-17-9-4-8-16(13-17)20-22-14-23-25-20/h1-4,6-9,13-14,18H,5,10-12H2,(H,24,28)(H,22,23,25).
What are the key properties of 1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 136525808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).