3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide

C14H23N5O2 — CID 66121900

IUPAC3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)CC(=O)N2CCNCC2)n(C)n1
InChIInChI=1S/C14H23N5O2/c1-4-11-9-12(18(3)16-11)14(21)17(2)10-13(20)19-7-5-15-6-8-19/h9,15H,4-8,10H2,1-3H3
InChIKeyBJJNOIZJHWLIKF-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.51
Rot. Bonds4

About 3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide

3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 66121900) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide
PubChem CID66121900
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)CC(=O)N2CCNCC2)n(C)n1
InChIInChI=1S/C14H23N5O2/c1-4-11-9-12(18(3)16-11)14(21)17(2)10-13(20)19-7-5-15-6-8-19/h9,15H,4-8,10H2,1-3H3
InChIKeyBJJNOIZJHWLIKF-UHFFFAOYSA-N
XLogP-0.51
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501
3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide
CID 113499792
2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone
CID 82694012
N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66120573
N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671306
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 115736836
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119454974
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61019216
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 43603133
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454674
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide (CID 66121900) is 3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide is CCc1cc(C(=O)N(C)CC(=O)N2CCNCC2)n(C)n1.
What is the InChIKey of 3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide?
The InChIKey is BJJNOIZJHWLIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-11-9-12(18(3)16-11)14(21)17(2)10-13(20)19-7-5-15-6-8-19/h9,15H,4-8,10H2,1-3H3.
What are the key properties of 3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide?
3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66121900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).