3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide

C12H17N5O3S — CID 62991122

IUPAC3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccnc(OC)c2)c(N)n1
InChIInChI=1S/C12H17N5O3S/c1-3-17-8-10(12(13)16-17)21(18,19)15-7-9-4-5-14-11(6-9)20-2/h4-6,8,15H,3,7H2,1-2H3,(H2,13,16)
InChIKeyFVGLXHHEISNHCT-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.37
Rot. Bonds6

About 3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide

3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide (PubChem CID 62991122) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide
PubChem CID62991122
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccnc(OC)c2)c(N)n1
InChIInChI=1S/C12H17N5O3S/c1-3-17-8-10(12(13)16-17)21(18,19)15-7-9-4-5-14-11(6-9)20-2/h4-6,8,15H,3,7H2,1-2H3,(H2,13,16)
InChIKeyFVGLXHHEISNHCT-UHFFFAOYSA-N
XLogP0.37
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide (CID 62991122) is 3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2ccnc(OC)c2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is FVGLXHHEISNHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-3-17-8-10(12(13)16-17)21(18,19)15-7-9-4-5-14-11(6-9)20-2/h4-6,8,15H,3,7H2,1-2H3,(H2,13,16).
What are the key properties of 3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 311.37 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 62991122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).