2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride

C12H22ClN5O — CID 119447776

IUPAC2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCCN2CCNCC2)n(C)n1.Cl
InChIInChI=1S/C12H21N5O.ClH/c1-10-9-11(16(2)15-10)12(18)14-5-8-17-6-3-13-4-7-17;/h9,13H,3-8H2,1-2H3,(H,14,18);1H
InChIKeyGZWKVHNTVGWMKS-UHFFFAOYSA-N
MW287.80 g/mol
LogP-0.21
Rot. Bonds4

About 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride

2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119447776) has the molecular formula C12H22ClN5O and a molecular weight of 287.80 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119447776
Molecular FormulaC12H22ClN5O
Molecular Weight287.80 g/mol
Exact Mass287.15
IUPAC Name2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCCN2CCNCC2)n(C)n1.Cl
InChIInChI=1S/C12H21N5O.ClH/c1-10-9-11(16(2)15-10)12(18)14-5-8-17-6-3-13-4-7-17;/h9,13H,3-8H2,1-2H3,(H,14,18);1H
InChIKeyGZWKVHNTVGWMKS-UHFFFAOYSA-N
XLogP-0.21
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66127121
2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66128465
3-tert-butyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrazole-5-carboxamide
CID 119393784
2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119447428
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052
4-bromo-N-(2-piperazin-1-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640202
3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119394236
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024971
3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride (CID 119447776) is 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NCCN2CCNCC2)n(C)n1.Cl.
What is the InChIKey of 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is GZWKVHNTVGWMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O.ClH/c1-10-9-11(16(2)15-10)12(18)14-5-8-17-6-3-13-4-7-17;/h9,13H,3-8H2,1-2H3,(H,14,18);1H.
What are the key properties of 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride?
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 287.80 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119447776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).