N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride

C13H27ClN4O2S — CID 120708800

IUPACN-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1c(C)nn(CC(C)C)c1C.Cl
InChIInChI=1S/C13H26N4O2S.ClH/c1-6-14-7-8-15-20(18,19)13-11(4)16-17(12(13)5)9-10(2)3;/h10,14-15H,6-9H2,1-5H3;1H
InChIKeyYCEYYNYTIVWSKC-UHFFFAOYSA-N
MW338.91 g/mol
LogP1.47
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride

N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120708800) has the molecular formula C13H27ClN4O2S and a molecular weight of 338.91 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120708800
Molecular FormulaC13H27ClN4O2S
Molecular Weight338.91 g/mol
Exact Mass338.15
IUPAC NameN-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1c(C)nn(CC(C)C)c1C.Cl
InChIInChI=1S/C13H26N4O2S.ClH/c1-6-14-7-8-15-20(18,19)13-11(4)16-17(12(13)5)9-10(2)3;/h10,14-15H,6-9H2,1-5H3;1H
InChIKeyYCEYYNYTIVWSKC-UHFFFAOYSA-N
XLogP1.47
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.91
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride (CID 120708800) is N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1c(C)nn(CC(C)C)c1C.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is YCEYYNYTIVWSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S.ClH/c1-6-14-7-8-15-20(18,19)13-11(4)16-17(12(13)5)9-10(2)3;/h10,14-15H,6-9H2,1-5H3;1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 338.91 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120708800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).