N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide

C12H24N6O2S — CID 106075528

IUPACN-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCNCc1cn[nH]c1S(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C12H24N6O2S/c1-3-4-13-9-11-10-14-15-12(11)21(19,20)16-18-7-5-17(2)6-8-18/h10,13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyWXUBTAQUEQKGHH-UHFFFAOYSA-N
MW316.43 g/mol
LogP-0.65
Rot. Bonds7

About N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106075528) has the molecular formula C12H24N6O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106075528
Molecular FormulaC12H24N6O2S
Molecular Weight316.43 g/mol
Exact Mass316.17
IUPAC NameN-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCNCc1cn[nH]c1S(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C12H24N6O2S/c1-3-4-13-9-11-10-14-15-12(11)21(19,20)16-18-7-5-17(2)6-8-18/h10,13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyWXUBTAQUEQKGHH-UHFFFAOYSA-N
XLogP-0.65
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylbutan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106031472
N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 114267237
N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106026928
N-(2-butoxyethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106017591
N-(4-methylpentan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106028644
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106378211
N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 102701565
N-(5-methylhexyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115327593
N-(1H-imidazol-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106069311
N-[2-(2,2-difluoroethoxy)ethyl]-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106091908
N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106075100
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115988576

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106075528) is N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide is CCCNCc1cn[nH]c1S(=O)(=O)NN1CCN(C)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is WXUBTAQUEQKGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O2S/c1-3-4-13-9-11-10-14-15-12(11)21(19,20)16-18-7-5-17(2)6-8-18/h10,13,16H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of -0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106075528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).