(3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C17H27N5O2 — CID 97130759

IUPAC(3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1
InChIInChI=1S/C17H27N5O2/c1-12-19-13(2)22(20-12)9-5-8-18-17(24)14-10-16(23)21(11-14)15-6-3-4-7-15/h14-15H,3-11H2,1-2H3,(H,18,24)/t14-/m1/s1
InChIKeyZKYPNBKRQRFTCU-CQSZACIVSA-N
MW333.44 g/mol
LogP1.19
Rot. Bonds6

About (3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97130759) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97130759
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1
InChIInChI=1S/C17H27N5O2/c1-12-19-13(2)22(20-12)9-5-8-18-17(24)14-10-16(23)21(11-14)15-6-3-4-7-15/h14-15H,3-11H2,1-2H3,(H,18,24)/t14-/m1/s1
InChIKeyZKYPNBKRQRFTCU-CQSZACIVSA-N
XLogP1.19
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide
CID 72930951
(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
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
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
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
(3S)-1-cyclopentyl-5-oxo-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 97147266
(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 97118781
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385
1-tert-butyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70732801

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 97130759) is (3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(C)n(CCCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1.
What is the InChIKey of (3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZKYPNBKRQRFTCU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-19-13(2)22(20-12)9-5-8-18-17(24)14-10-16(23)21(11-14)15-6-3-4-7-15/h14-15H,3-11H2,1-2H3,(H,18,24)/t14-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97130759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).