(3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide

C13H19N5O2 — CID 97126904

IUPAC(3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCn1ccnn1)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H19N5O2/c19-12-8-10(9-18(12)11-2-3-11)13(20)14-4-1-6-17-7-5-15-16-17/h5,7,10-11H,1-4,6,8-9H2,(H,14,20)/t10-/m0/s1
InChIKeyRXLCATILHSNTDQ-JTQLQIEISA-N
MW277.33 g/mol
LogP-0.20
Rot. Bonds6

About (3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide

(3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 97126904) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID97126904
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCn1ccnn1)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H19N5O2/c19-12-8-10(9-18(12)11-2-3-11)13(20)14-4-1-6-17-7-5-15-16-17/h5,7,10-11H,1-4,6,8-9H2,(H,14,20)/t10-/m0/s1
InChIKeyRXLCATILHSNTDQ-JTQLQIEISA-N
XLogP-0.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94617423
1-cyclopropyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-oxopyrrolidine-3-carboxamide
CID 50984090
1-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(triazol-1-yl)propyl]urea
CID 126429358
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
(3R)-1-cyclopentyl-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 95283558
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72883089
(3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97119665
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide (CID 97126904) is (3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide is O=C(NCCCn1ccnn1)[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is RXLCATILHSNTDQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5O2/c19-12-8-10(9-18(12)11-2-3-11)13(20)14-4-1-6-17-7-5-15-16-17/h5,7,10-11H,1-4,6,8-9H2,(H,14,20)/t10-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide?
(3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97126904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).