2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide

C15H19N5O3 — CID 126824824

IUPAC2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide
SMILESCn1cc(N2CC(C(=O)N3CC4CC3(C(N)=O)C4)CC2=O)cn1
InChIInChI=1S/C15H19N5O3/c1-18-8-11(5-17-18)19-7-10(2-12(19)21)13(22)20-6-9-3-15(20,4-9)14(16)23/h5,8-10H,2-4,6-7H2,1H3,(H2,16,23)
InChIKeyGPSJTIKSJYEELM-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.75
Rot. Bonds3

About 2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide

2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide (PubChem CID 126824824) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide.

Molecular Properties

Compound Name2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide
PubChem CID126824824
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide
SMILESCn1cc(N2CC(C(=O)N3CC4CC3(C(N)=O)C4)CC2=O)cn1
InChIInChI=1S/C15H19N5O3/c1-18-8-11(5-17-18)19-7-10(2-12(19)21)13(22)20-6-9-3-15(20,4-9)14(16)23/h5,8-10H,2-4,6-7H2,1H3,(H2,16,23)
InChIKeyGPSJTIKSJYEELM-UHFFFAOYSA-N
XLogP-0.75
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide with MolForge

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Related Compounds

methyl (3R)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 125424343
4-ethynyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 168501478
1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 136564463
(3R)-N-(furan-2-ylmethyl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 97465205
(4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one
CID 176873062
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 166283548
4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 155953115
1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52995994
5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 136565324
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697119
1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696336

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The IUPAC name of 2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide (CID 126824824) is 2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide.
What is the SMILES notation for 2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The canonical SMILES for 2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide is Cn1cc(N2CC(C(=O)N3CC4CC3(C(N)=O)C4)CC2=O)cn1.
What is the InChIKey of 2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The InChIKey is GPSJTIKSJYEELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-18-8-11(5-17-18)19-7-10(2-12(19)21)13(22)20-6-9-3-15(20,4-9)14(16)23/h5,8-10H,2-4,6-7H2,1H3,(H2,16,23).
What are the key properties of 2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide?
2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide has a molecular weight of 317.35 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide is sourced from PubChem (CID 126824824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).