1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide

C12H19N5O3S — CID 79232497

IUPAC1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)c1cnn(CCN)c1
InChIInChI=1S/C12H19N5O3S/c1-8-12(10(3)20-15-8)9(2)16-21(18,19)11-6-14-17(7-11)5-4-13/h6-7,9,16H,4-5,13H2,1-3H3
InChIKeyDMDZDXACHONCGD-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.49
Rot. Bonds6

About 1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 79232497) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID79232497
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)c1cnn(CCN)c1
InChIInChI=1S/C12H19N5O3S/c1-8-12(10(3)20-15-8)9(2)16-21(18,19)11-6-14-17(7-11)5-4-13/h6-7,9,16H,4-5,13H2,1-3H3
InChIKeyDMDZDXACHONCGD-UHFFFAOYSA-N
XLogP0.49
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide (CID 79232497) is 1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide is Cc1noc(C)c1C(C)NS(=O)(=O)c1cnn(CCN)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is DMDZDXACHONCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-8-12(10(3)20-15-8)9(2)16-21(18,19)11-6-14-17(7-11)5-4-13/h6-7,9,16H,4-5,13H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 0.49, 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-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 79232497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).