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

C12H19N5O3S — CID 79223860

IUPAC3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)c2c(C)noc2C)c(N)n1
InChIInChI=1S/C12H19N5O3S/c1-5-17-6-10(12(13)14-17)21(18,19)16-8(3)11-7(2)15-20-9(11)4/h6,8,16H,5H2,1-4H3,(H2,13,14)
InChIKeyKTMONDHHJWWOQJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.13
Rot. Bonds5

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

3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 79223860) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID79223860
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)c2c(C)noc2C)c(N)n1
InChIInChI=1S/C12H19N5O3S/c1-5-17-6-10(12(13)14-17)21(18,19)16-8(3)11-7(2)15-20-9(11)4/h6,8,16H,5H2,1-4H3,(H2,13,14)
InChIKeyKTMONDHHJWWOQJ-UHFFFAOYSA-N
XLogP1.13
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide (CID 79223860) is 3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(C)c2c(C)noc2C)c(N)n1.
What is the InChIKey of 3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is KTMONDHHJWWOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-5-17-6-10(12(13)14-17)21(18,19)16-8(3)11-7(2)15-20-9(11)4/h6,8,16H,5H2,1-4H3,(H2,13,14).
What are the key properties of 3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide?
3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 79223860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).