N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide

C11H22N4O3S — CID 102701565

IUPACN-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCNCc1cn[nH]c1S(=O)(=O)NCC(C)OC
InChIInChI=1S/C11H22N4O3S/c1-4-5-12-7-10-8-13-15-11(10)19(16,17)14-6-9(2)18-3/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyZFPKRSIFPHPQJJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.22
Rot. Bonds9

About N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102701565) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102701565
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC NameN-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCNCc1cn[nH]c1S(=O)(=O)NCC(C)OC
InChIInChI=1S/C11H22N4O3S/c1-4-5-12-7-10-8-13-15-11(10)19(16,17)14-6-9(2)18-3/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyZFPKRSIFPHPQJJ-UHFFFAOYSA-N
XLogP0.22
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 114267237
N-(5-methylhexyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115327593
N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106026928
N-(2-butoxyethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106017591
N-[2-(2,2-difluoroethoxy)ethyl]-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106091908
N-(2-ethoxypropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106078744
N-(4-methylpentan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106028644
N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106078834
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
N-(1H-imidazol-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106069311
N-(2-methylbutan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106031472
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106378211

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 102701565) is N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide is CCCNCc1cn[nH]c1S(=O)(=O)NCC(C)OC.
What is the InChIKey of N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ZFPKRSIFPHPQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-4-5-12-7-10-8-13-15-11(10)19(16,17)14-6-9(2)18-3/h8-9,12,14H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 0.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102701565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).