N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide

C7H13N3O2S — CID 61283744

IUPACN-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C7H13N3O2S/c1-2-5-13(11,12)9-6-7-3-4-8-10-7/h3-4,9H,2,5-6H2,1H3,(H,8,10)
InChIKeyRTJHKFITNFIGSG-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.24
Rot. Bonds5

About N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide

N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide (PubChem CID 61283744) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide
PubChem CID61283744
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C7H13N3O2S/c1-2-5-13(11,12)9-6-7-3-4-8-10-7/h3-4,9H,2,5-6H2,1H3,(H,8,10)
InChIKeyRTJHKFITNFIGSG-UHFFFAOYSA-N
XLogP0.24
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1H-pyrazol-5-yl)methanethiol
CID 18736783
Thiopyrazole aldehyde
CID 22134893
2-cyclobutyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide
CID 128439312
bis(trifluoromethylsulfonyl)azanide;5-methyl-1H-pyrazol-2-ium
CID 140049551
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;5-methyl-1H-pyrazol-2-ium
CID 140192419
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide
CID 156508167
difluoromethyl 1H-pyrazol-5-ylmethanesulfonate
CID 172849607
[fluoro(1H-pyrazol-5-yl)methyl]-oxosulfanium
CID 174899901
1,1-difluoro-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide
CID 61283361
1,1,1-trifluoro-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide
CID 61284330
4,4,4-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butane-1-sulfonamide
CID 83060130
4,4,4-trifluoro-N-(1H-pyrazol-5-ylmethyl)butane-1-sulfonamide
CID 83060131

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide (CID 61283744) is N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide?
The InChIKey is RTJHKFITNFIGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-2-5-13(11,12)9-6-7-3-4-8-10-7/h3-4,9H,2,5-6H2,1H3,(H,8,10).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide?
N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 61283744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).