3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H25N5O2S — CID 79308845

IUPAC3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)c1c(CN)n[nH]c1C
InChIInChI=1S/C13H25N5O2S/c1-4-18-7-5-6-11(18)9-17(3)21(19,20)13-10(2)15-16-12(13)8-14/h11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyJSVSNXGPOZURFC-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.28
Rot. Bonds6

About 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 79308845) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID79308845
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)c1c(CN)n[nH]c1C
InChIInChI=1S/C13H25N5O2S/c1-4-18-7-5-6-11(18)9-17(3)21(19,20)13-10(2)15-16-12(13)8-14/h11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyJSVSNXGPOZURFC-UHFFFAOYSA-N
XLogP0.28
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 79315278
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79308982
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 79318720
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79315633
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 79303073
3-amino-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79303674
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide
CID 79319252
5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide
CID 79308831
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79311862
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide
CID 79310769
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 99818002

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 79308845) is 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide is CCN1CCCC1CN(C)S(=O)(=O)c1c(CN)n[nH]c1C.
What is the InChIKey of 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JSVSNXGPOZURFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-4-18-7-5-6-11(18)9-17(3)21(19,20)13-10(2)15-16-12(13)8-14/h11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 79308845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).