2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide

C12H23N5O2S — CID 122565353

IUPAC2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
SMILESCCn1nc(C)cc1S(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C12H23N5O2S/c1-3-17-12(10-11(2)15-17)20(18,19)14-6-9-16-7-4-13-5-8-16/h10,13-14H,3-9H2,1-2H3
InChIKeyHWFSTLOSKADLSI-UHFFFAOYSA-N
MW301.42 g/mol
LogP-0.61
Rot. Bonds6

About 2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide

2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide (PubChem CID 122565353) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
PubChem CID122565353
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
SMILESCCn1nc(C)cc1S(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C12H23N5O2S/c1-3-17-12(10-11(2)15-17)20(18,19)14-6-9-16-7-4-13-5-8-16/h10,13-14H,3-9H2,1-2H3
InChIKeyHWFSTLOSKADLSI-UHFFFAOYSA-N
XLogP-0.61
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide
CID 120706370
2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66128465
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
1-ethyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide;dihydrochloride
CID 119966513
3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599808
5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 103100358
2,6-dichloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999799
4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43605186
2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966401
4-bromo-2-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120707438
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperazine
CID 25248518
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 106606518

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide (CID 122565353) is 2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide is CCn1nc(C)cc1S(=O)(=O)NCCN1CCNCC1.
What is the InChIKey of 2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide?
The InChIKey is HWFSTLOSKADLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-3-17-12(10-11(2)15-17)20(18,19)14-6-9-16-7-4-13-5-8-16/h10,13-14H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide?
2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 122565353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).