N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide

C9H17N3O3S — CID 102693440

IUPACN-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCC(C)COCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H17N3O3S/c1-8(2)7-15-6-5-11-16(13,14)9-3-4-10-12-9/h3-4,8,11H,5-7H2,1-2H3,(H,10,12)
InChIKeyDPVPTAPVCIUPDR-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.36
Rot. Bonds7

About N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide

N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693440) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693440
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCC(C)COCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H17N3O3S/c1-8(2)7-15-6-5-11-16(13,14)9-3-4-10-12-9/h3-4,8,11H,5-7H2,1-2H3,(H,10,12)
InChIKeyDPVPTAPVCIUPDR-UHFFFAOYSA-N
XLogP0.36
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692888
N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102692369
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691011
N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692436
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide
CID 106245564
N-[3-(2-bromoethoxy)propyl]-1H-pyrazole-5-sulfonamide
CID 106304886
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide
CID 102691239
N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
CID 102691141
4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085428

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide (CID 102693440) is N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide is CC(C)COCCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is DPVPTAPVCIUPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-8(2)7-15-6-5-11-16(13,14)9-3-4-10-12-9/h3-4,8,11H,5-7H2,1-2H3,(H,10,12).
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide?
N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).