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

C12H24N4O3S — CID 106085428

IUPAC4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NCCOCC(C)C
InChIInChI=1S/C12H24N4O3S/c1-4-13-7-11-8-14-16-12(11)20(17,18)15-5-6-19-9-10(2)3/h8,10,13,15H,4-7,9H2,1-3H3,(H,14,16)
InChIKeyPCEBGZUMBHTRCY-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.47
Rot. Bonds10

About 4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide

4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106085428) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID106085428
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NCCOCC(C)C
InChIInChI=1S/C12H24N4O3S/c1-4-13-7-11-8-14-16-12(11)20(17,18)15-5-6-19-9-10(2)3/h8,10,13,15H,4-7,9H2,1-3H3,(H,14,16)
InChIKeyPCEBGZUMBHTRCY-UHFFFAOYSA-N
XLogP0.47
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
N-[2-(2,2-difluoroethoxy)ethyl]-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106091908
N-[2-(2,2-difluoroethoxy)ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106091929
4-(ethylaminomethyl)-N-(5-methoxypentyl)-1H-pyrazole-5-sulfonamide
CID 106092808
N-(2-butoxyethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106017591
N-(5-methylhexyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115327593
4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522891
4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 106019742
4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106031009
N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 102701565
N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 114267237
4-[(cyclopropylamino)methyl]-N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide
CID 106059009

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide (CID 106085428) is 4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)NCCOCC(C)C.
What is the InChIKey of 4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is PCEBGZUMBHTRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-4-13-7-11-8-14-16-12(11)20(17,18)15-5-6-19-9-10(2)3/h8,10,13,15H,4-7,9H2,1-3H3,(H,14,16).
What are the key properties of 4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide?
4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 0.47, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106085428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).