N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide

C17H19N5O4 — CID 86992460

IUPACN-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C17H19N5O4/c23-15(18-11-3-4-11)17(25)22-7-5-21(6-8-22)16(24)13-10-12(19-20-13)14-2-1-9-26-14/h1-2,9-11H,3-8H2,(H,18,23)(H,19,20)
InChIKeyBZCOQPZIKFPSOR-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.23
Rot. Bonds3

About N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide

N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide (PubChem CID 86992460) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide
PubChem CID86992460
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC NameN-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C17H19N5O4/c23-15(18-11-3-4-11)17(25)22-7-5-21(6-8-22)16(24)13-10-12(19-20-13)14-2-1-9-26-14/h1-2,9-11H,3-8H2,(H,18,23)(H,19,20)
InChIKeyBZCOQPZIKFPSOR-UHFFFAOYSA-N
XLogP0.23
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759149
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 20910914
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 43056712
(4-tert-butylazepan-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 86962168
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 51896797
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 51896800
1,4-diazepan-1-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119417177
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541109
N-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]methanesulfonamide
CID 51079185

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide (CID 86992460) is N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide is O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide?
The InChIKey is BZCOQPZIKFPSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c23-15(18-11-3-4-11)17(25)22-7-5-21(6-8-22)16(24)13-10-12(19-20-13)14-2-1-9-26-14/h1-2,9-11H,3-8H2,(H,18,23)(H,19,20).
What are the key properties of N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide?
N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide has a molecular weight of 357.37 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 86992460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).