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

C9H17FN4O2S — CID 114267237

IUPACN-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCNCc1cn[nH]c1S(=O)(=O)NCCF
InChIInChI=1S/C9H17FN4O2S/c1-2-4-11-6-8-7-12-14-9(8)17(15,16)13-5-3-10/h7,11,13H,2-6H2,1H3,(H,12,14)
InChIKeyYEGPSJYCKKFZTQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.16
Rot. Bonds8

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

N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 114267237) has the molecular formula C9H17FN4O2S and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID114267237
Molecular FormulaC9H17FN4O2S
Molecular Weight264.33 g/mol
Exact Mass264.11
IUPAC NameN-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCNCc1cn[nH]c1S(=O)(=O)NCCF
InChIInChI=1S/C9H17FN4O2S/c1-2-4-11-6-8-7-12-14-9(8)17(15,16)13-5-3-10/h7,11,13H,2-6H2,1H3,(H,12,14)
InChIKeyYEGPSJYCKKFZTQ-UHFFFAOYSA-N
XLogP0.16
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylhexyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115327593
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-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106026928
N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 102701565
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
N-(4-methylpentan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106028644
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522891
N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106075528

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 114267237) is N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide is CCCNCc1cn[nH]c1S(=O)(=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is YEGPSJYCKKFZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN4O2S/c1-2-4-11-6-8-7-12-14-9(8)17(15,16)13-5-3-10/h7,11,13H,2-6H2,1H3,(H,12,14).
What are the key properties of N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 264.33 g/mol, XLogP of 0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 114267237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).