4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide

C13H25N3O3S — CID 107818591

IUPAC4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)CCCCCCNS(=O)(=O)c1[nH]ncc1CO
InChIInChI=1S/C13H25N3O3S/c1-11(2)7-5-3-4-6-8-15-20(18,19)13-12(10-17)9-14-16-13/h9,11,15,17H,3-8,10H2,1-2H3,(H,14,16)
InChIKeyLOPMDTNLVOIDHO-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.79
Rot. Bonds10

About 4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide

4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide (PubChem CID 107818591) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide
PubChem CID107818591
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)CCCCCCNS(=O)(=O)c1[nH]ncc1CO
InChIInChI=1S/C13H25N3O3S/c1-11(2)7-5-3-4-6-8-15-20(18,19)13-12(10-17)9-14-16-13/h9,11,15,17H,3-8,10H2,1-2H3,(H,14,16)
InChIKeyLOPMDTNLVOIDHO-UHFFFAOYSA-N
XLogP1.79
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.79
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
4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide
CID 106044114
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide
CID 106016868
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 114188372
4-[(cyclopropylamino)methyl]-N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide
CID 106059009
4-(ethylaminomethyl)-N-(5-methoxypentyl)-1H-pyrazole-5-sulfonamide
CID 106092808
4-(hydroxymethyl)-N-(7-methyloctyl)benzenesulfonamide
CID 107818586
6-methylheptylsulfamic acid
CID 87283481
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522942
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(hydroxymethyl)-1H-pyrazole-5-sulfonamide
CID 106013667
4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106410541

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide (CID 107818591) is 4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide is CC(C)CCCCCCNS(=O)(=O)c1[nH]ncc1CO.
What is the InChIKey of 4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is LOPMDTNLVOIDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-11(2)7-5-3-4-6-8-15-20(18,19)13-12(10-17)9-14-16-13/h9,11,15,17H,3-8,10H2,1-2H3,(H,14,16).
What are the key properties of 4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide?
4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.79, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107818591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).