N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide

C9H17N3O3S — CID 107271218

IUPACN-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCCC(C)O
InChIInChI=1S/C9H17N3O3S/c1-7(13)4-3-5-11-16(14,15)9-6-10-12-8(9)2/h6-7,11,13H,3-5H2,1-2H3,(H,10,12)
InChIKeySDSXNSIBQHPEAT-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.16
Rot. Bonds6

About N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 107271218) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID107271218
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCCC(C)O
InChIInChI=1S/C9H17N3O3S/c1-7(13)4-3-5-11-16(14,15)9-6-10-12-8(9)2/h6-7,11,13H,3-5H2,1-2H3,(H,10,12)
InChIKeySDSXNSIBQHPEAT-UHFFFAOYSA-N
XLogP0.16
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
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-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940
5-methyl-N-[3-(propan-2-ylamino)propyl]-1H-pyrazole-4-sulfonamide
CID 54930150
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 61248904
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate
CID 61274855
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 104936012
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
CID 106119263
N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide
CID 78954154
N-(4-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 107271098
N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114298151
3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 81067072

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 107271218) is N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCCCC(C)O.
What is the InChIKey of N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is SDSXNSIBQHPEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-7(13)4-3-5-11-16(14,15)9-6-10-12-8(9)2/h6-7,11,13H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107271218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).