5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide

C12H19N5O2S — CID 106009439

IUPAC5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1cc(CN)n(C)c1
InChIInChI=1S/C12H19N5O2S/c1-10(8-17-5-3-4-14-17)15-20(18,19)12-6-11(7-13)16(2)9-12/h3-6,9-10,15H,7-8,13H2,1-2H3
InChIKeyBKLXSJRGYQJEPK-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.05
Rot. Bonds6

About 5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide (PubChem CID 106009439) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
PubChem CID106009439
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1cc(CN)n(C)c1
InChIInChI=1S/C12H19N5O2S/c1-10(8-17-5-3-4-14-17)15-20(18,19)12-6-11(7-13)16(2)9-12/h3-6,9-10,15H,7-8,13H2,1-2H3
InChIKeyBKLXSJRGYQJEPK-UHFFFAOYSA-N
XLogP0.05
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009480
5-(aminomethyl)-1-methyl-N-(3-pyrazol-1-ylpropyl)pyrrole-3-sulfonamide
CID 106077067
5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide
CID 106008386
5-(aminomethyl)-1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009824
4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106996794
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
3-amino-5-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322842
4-(aminomethyl)-2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106009441
2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 61052500
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421967
4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 79569041

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide (CID 106009439) is 5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide is CC(Cn1cccn1)NS(=O)(=O)c1cc(CN)n(C)c1.
What is the InChIKey of 5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide?
The InChIKey is BKLXSJRGYQJEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-10(8-17-5-3-4-14-17)15-20(18,19)12-6-11(7-13)16(2)9-12/h3-6,9-10,15H,7-8,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106009439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).