1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide

C17H21N5O2 — CID 154797641

IUPAC1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(Cn1cncn1)NC(=O)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C17H21N5O2/c1-13(10-21-12-18-11-19-21)20-16(23)15-8-5-9-22(15)17(24)14-6-3-2-4-7-14/h2-4,6-7,11-13,15H,5,8-10H2,1H3,(H,20,23)
InChIKeyDNALDBJGQWDHOT-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.09
Rot. Bonds5

About 1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide

1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 154797641) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
PubChem CID154797641
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(Cn1cncn1)NC(=O)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C17H21N5O2/c1-13(10-21-12-18-11-19-21)20-16(23)15-8-5-9-22(15)17(24)14-6-3-2-4-7-14/h2-4,6-7,11-13,15H,5,8-10H2,1H3,(H,20,23)
InChIKeyDNALDBJGQWDHOT-UHFFFAOYSA-N
XLogP1.09
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 101140521
2-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 132968644
1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide
CID 60518298
(2S)-1-benzoyl-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 173398428
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
benzyl (2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-3-methylbutanoate
CID 150631043
1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 136575876
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
(2S)-1-benzoyl-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 139809503
1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 111461020

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide (CID 154797641) is 1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide is CC(Cn1cncn1)NC(=O)C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is DNALDBJGQWDHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13(10-21-12-18-11-19-21)20-16(23)15-8-5-9-22(15)17(24)14-6-3-2-4-7-14/h2-4,6-7,11-13,15H,5,8-10H2,1H3,(H,20,23).
What are the key properties of 1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154797641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).