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

C12H17N5O2 — CID 17081269

IUPAC1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nn1cnnc1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C12H17N5O2/c18-11-5-9(6-17(11)10-3-1-2-4-10)12(19)15-16-7-13-14-8-16/h7-10H,1-6H2,(H,15,19)
InChIKeyKVKXFGAMIRXGAK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.14
Rot. Bonds3

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

1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 17081269) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID17081269
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nn1cnnc1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C12H17N5O2/c18-11-5-9(6-17(11)10-3-1-2-4-10)12(19)15-16-7-13-14-8-16/h7-10H,1-6H2,(H,15,19)
InChIKeyKVKXFGAMIRXGAK-UHFFFAOYSA-N
XLogP0.14
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
1-cyclopentyl-N-cyclopentyloxy-5-oxopyrrolidine-3-carboxamide
CID 83207333
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
1-cyclopentyl-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17081286
N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 17257415
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2927358
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide (CID 17081269) is 1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide is O=C(Nn1cnnc1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is KVKXFGAMIRXGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-11-5-9(6-17(11)10-3-1-2-4-10)12(19)15-16-7-13-14-8-16/h7-10H,1-6H2,(H,15,19).
What are the key properties of 1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide?
1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 17081269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).