5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide

C13H25N5O2S — CID 61249309

IUPAC5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C13H25N5O2S/c1-11-12(9-14-16-11)21(19,20)15-10-13(2,3)18-7-5-17(4)6-8-18/h9,15H,5-8,10H2,1-4H3,(H,14,16)
InChIKeyFBJSGPHCDHHJGK-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.02
Rot. Bonds5

About 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide

5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61249309) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
PubChem CID61249309
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C13H25N5O2S/c1-11-12(9-14-16-11)21(19,20)15-10-13(2,3)18-7-5-17(4)6-8-18/h9,15H,5-8,10H2,1-4H3,(H,14,16)
InChIKeyFBJSGPHCDHHJGK-UHFFFAOYSA-N
XLogP0.02
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide (CID 61249309) is 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is FBJSGPHCDHHJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-11-12(9-14-16-11)21(19,20)15-10-13(2,3)18-7-5-17(4)6-8-18/h9,15H,5-8,10H2,1-4H3,(H,14,16).
What are the key properties of 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide?
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61249309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).