1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide

C10H19FN4O2S — CID 114267245

IUPAC1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)NCCCF)cn1
InChIInChI=1S/C10H19FN4O2S/c1-2-12-6-7-15-9-10(8-13-15)18(16,17)14-5-3-4-11/h8-9,12,14H,2-7H2,1H3
InChIKeyVQECWVCFPJRFAD-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.13
Rot. Bonds9

About 1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide

1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide (PubChem CID 114267245) has the molecular formula C10H19FN4O2S and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide
PubChem CID114267245
Molecular FormulaC10H19FN4O2S
Molecular Weight278.35 g/mol
Exact Mass278.12
IUPAC Name1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)NCCCF)cn1
InChIInChI=1S/C10H19FN4O2S/c1-2-12-6-7-15-9-10(8-13-15)18(16,17)14-5-3-4-11/h8-9,12,14H,2-7H2,1H3
InChIKeyVQECWVCFPJRFAD-UHFFFAOYSA-N
XLogP0.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.13
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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Related Compounds

1-Methyl-1H-pyrazole-4-sulfonamide
CID 13342789
N-cyclohexyl-1-ethylpyrazole-4-sulfonamide
CID 6466244
1-Ethyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 6470787
N-cyclopentyl-1-ethyl-1H-pyrazole-4-sulfonamide
CID 19582858
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
1-ethyl-1H-pyrazole-4-sulfonamide
CID 17262698
1-methyl-1H-pyrazole-4-sulfonohydrazide
CID 19616386
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine hydrochloride
CID 53536972
1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61394736
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 81339718
1-(difluoromethyl)-1H-pyrazole-4-sulfonamide
CID 81341145
1-ethyl-N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 19684369

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide (CID 114267245) is 1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide is CCNCCn1cc(S(=O)(=O)NCCCF)cn1.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide?
The InChIKey is VQECWVCFPJRFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN4O2S/c1-2-12-6-7-15-9-10(8-13-15)18(16,17)14-5-3-4-11/h8-9,12,14H,2-7H2,1H3.
What are the key properties of 1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide?
1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide has a molecular weight of 278.35 g/mol, XLogP of 0.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-N-(3-fluoropropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 114267245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).