N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine

C10H19N3O2S — CID 102805295

IUPACN-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine
SMILESCCS(=O)(=O)CCCNc1cn(C)nc1C
InChIInChI=1S/C10H19N3O2S/c1-4-16(14,15)7-5-6-11-10-8-13(3)12-9(10)2/h8,11H,4-7H2,1-3H3
InChIKeyKAOOUZSJYXWHQP-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.97
Rot. Bonds6

About N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine

N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine (PubChem CID 102805295) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine
PubChem CID102805295
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine
SMILESCCS(=O)(=O)CCCNc1cn(C)nc1C
InChIInChI=1S/C10H19N3O2S/c1-4-16(14,15)7-5-6-11-10-8-13(3)12-9(10)2/h8,11H,4-7H2,1-3H3
InChIKeyKAOOUZSJYXWHQP-UHFFFAOYSA-N
XLogP0.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542
N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine
CID 104956490
1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine
CID 106724603
N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102806224
4-[2-[(1,3-dimethylpyrazol-4-yl)amino]ethylsulfonyl]benzonitrile
CID 102805471
N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine
CID 103033669
N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine
CID 103179574
1,3-dimethyl-N-undecylpyrazole-4-sulfonamide
CID 19681469
1,3-dimethyl-N-octylpyrazole-4-sulfonamide
CID 19681357
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103887705
N-hexyl-1,3-dimethylpyrazole-4-sulfonamide
CID 19681255
N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 122168973

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine (CID 102805295) is N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine is CCS(=O)(=O)CCCNc1cn(C)nc1C.
What is the InChIKey of N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is KAOOUZSJYXWHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-16(14,15)7-5-6-11-10-8-13(3)12-9(10)2/h8,11H,4-7H2,1-3H3.
What are the key properties of N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine?
N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 245.35 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 102805295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).