N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride

C12H20ClN5O2 — CID 119454691

IUPACN,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCc1[nH]ncc1C(=O)N(C)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C12H19N5O2.ClH/c1-9-10(7-14-15-9)12(19)16(2)8-11(18)17-5-3-13-4-6-17;/h7,13H,3-6,8H2,1-2H3,(H,14,15);1H
InChIKeyHJODNWXRQOMTGH-UHFFFAOYSA-N
MW301.78 g/mol
LogP-0.36
Rot. Bonds3

About N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride

N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 119454691) has the molecular formula C12H20ClN5O2 and a molecular weight of 301.78 g/mol. Its IUPAC name is N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID119454691
Molecular FormulaC12H20ClN5O2
Molecular Weight301.78 g/mol
Exact Mass301.13
IUPAC NameN,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCc1[nH]ncc1C(=O)N(C)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C12H19N5O2.ClH/c1-9-10(7-14-15-9)12(19)16(2)8-11(18)17-5-3-13-4-6-17;/h7,13H,3-6,8H2,1-2H3,(H,14,15);1H
InChIKeyHJODNWXRQOMTGH-UHFFFAOYSA-N
XLogP-0.36
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119454974
N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671306
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 64951471
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454674
2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454843
2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454543
2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61018145
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61019216
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride
CID 119454701
4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 65198629
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride (CID 119454691) is N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride is Cc1[nH]ncc1C(=O)N(C)CC(=O)N1CCNCC1.Cl.
What is the InChIKey of N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is HJODNWXRQOMTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2.ClH/c1-9-10(7-14-15-9)12(19)16(2)8-11(18)17-5-3-13-4-6-17;/h7,13H,3-6,8H2,1-2H3,(H,14,15);1H.
What are the key properties of N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride?
N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 301.78 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119454691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).