1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide

C14H21N5O2 — CID 64547416

IUPAC1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H21N5O2/c20-13-7-10(8-19(13)11-3-1-2-4-11)14(21)15-6-5-12-16-9-17-18-12/h9-11H,1-8H2,(H,15,21)(H,16,17,18)
InChIKeyVIRBFKVQBAXRAE-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.25
Rot. Bonds5

About 1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide

1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 64547416) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID64547416
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H21N5O2/c20-13-7-10(8-19(13)11-3-1-2-4-11)14(21)15-6-5-12-16-9-17-18-12/h9-11H,1-8H2,(H,15,21)(H,16,17,18)
InChIKeyVIRBFKVQBAXRAE-UHFFFAOYSA-N
XLogP0.25
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide (CID 64547416) is 1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCc1ncn[nH]1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is VIRBFKVQBAXRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-13-7-10(8-19(13)11-3-1-2-4-11)14(21)15-6-5-12-16-9-17-18-12/h9-11H,1-8H2,(H,15,21)(H,16,17,18).
What are the key properties of 1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 64547416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).