1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide

C9H13N5O3S — CID 106423982

IUPAC1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)NCc2ccno2)cn1
InChIInChI=1S/C9H13N5O3S/c10-2-4-14-7-9(6-11-14)18(15,16)13-5-8-1-3-12-17-8/h1,3,6-7,13H,2,4-5,10H2
InChIKeyLGPIJHBHUDPASA-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.69
Rot. Bonds6

About 1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 106423982) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
PubChem CID106423982
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)NCc2ccno2)cn1
InChIInChI=1S/C9H13N5O3S/c10-2-4-14-7-9(6-11-14)18(15,16)13-5-8-1-3-12-17-8/h1,3,6-7,13H,2,4-5,10H2
InChIKeyLGPIJHBHUDPASA-UHFFFAOYSA-N
XLogP-0.69
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(ethylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106423967
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115522912
1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 106016589
1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 114138925
1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
CID 106027732
1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
CID 106017137

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide (CID 106423982) is 1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide is NCCn1cc(S(=O)(=O)NCc2ccno2)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is LGPIJHBHUDPASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c10-2-4-14-7-9(6-11-14)18(15,16)13-5-8-1-3-12-17-8/h1,3,6-7,13H,2,4-5,10H2.
What are the key properties of 1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 271.30 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106423982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).