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

C12H21N5O — CID 66127121

IUPAC2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCNCC2)n(C)n1
InChIInChI=1S/C12H21N5O/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)
InChIKeyHHQMMHKUXIIUPJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.64
Rot. Bonds4

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

2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide (PubChem CID 66127121) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
PubChem CID66127121
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCNCC2)n(C)n1
InChIInChI=1S/C12H21N5O/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)
InChIKeyHHQMMHKUXIIUPJ-UHFFFAOYSA-N
XLogP-0.64
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119447776
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
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
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
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
4-methyl-N-(2-piperazin-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 66336168
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide (CID 66127121) is 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide is Cc1cc(C(=O)NCCN2CCNCC2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide?
The InChIKey is HHQMMHKUXIIUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/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).
What are the key properties of 2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide?
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.64, 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 is sourced from PubChem (CID 66127121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).