4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide

C8H16N4O3S — CID 106019742

IUPAC4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
SMILESCCOCCNS(=O)(=O)c1[nH]ncc1CN
InChIInChI=1S/C8H16N4O3S/c1-2-15-4-3-11-16(13,14)8-7(5-9)6-10-12-8/h6,11H,2-5,9H2,1H3,(H,10,12)
InChIKeyPXFWUCHSCUPIMU-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.82
Rot. Bonds7

About 4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide

4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106019742) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106019742
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
SMILESCCOCCNS(=O)(=O)c1[nH]ncc1CN
InChIInChI=1S/C8H16N4O3S/c1-2-15-4-3-11-16(13,14)8-7(5-9)6-10-12-8/h6,11H,2-5,9H2,1H3,(H,10,12)
InChIKeyPXFWUCHSCUPIMU-UHFFFAOYSA-N
XLogP-0.82
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.82
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

N-(2-butoxyethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106017591
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-5-sulfonamide
CID 114142090
4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085428
N-[2-(2,2-difluoroethoxy)ethyl]-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106091908
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106017929
N-[2-(2,2-difluoroethoxy)ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106091929
N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106029958
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106063300
5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide
CID 60813356
5-(aminomethyl)-N-(2-ethoxyethyl)pyridine-2-sulfonamide
CID 106020136

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide (CID 106019742) is 4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide is CCOCCNS(=O)(=O)c1[nH]ncc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is PXFWUCHSCUPIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-2-15-4-3-11-16(13,14)8-7(5-9)6-10-12-8/h6,11H,2-5,9H2,1H3,(H,10,12).
What are the key properties of 4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106019742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).