3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide

C10H19N5O2S — CID 62976625

IUPAC3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCN(CCNS(=O)(=O)c1cn(C)nc1N)C1CC1
InChIInChI=1S/C10H19N5O2S/c1-14(8-3-4-8)6-5-12-18(16,17)9-7-15(2)13-10(9)11/h7-8,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyNJMUJKBOFMFTRB-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.63
Rot. Bonds6

About 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide

3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 62976625) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID62976625
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCN(CCNS(=O)(=O)c1cn(C)nc1N)C1CC1
InChIInChI=1S/C10H19N5O2S/c1-14(8-3-4-8)6-5-12-18(16,17)9-7-15(2)13-10(9)11/h7-8,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyNJMUJKBOFMFTRB-UHFFFAOYSA-N
XLogP-0.63
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide (CID 62976625) is 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide is CN(CCNS(=O)(=O)c1cn(C)nc1N)C1CC1.
What is the InChIKey of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is NJMUJKBOFMFTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-14(8-3-4-8)6-5-12-18(16,17)9-7-15(2)13-10(9)11/h7-8,12H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide?
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62976625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).