3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide

C12H23N5O2S — CID 106022301

IUPAC3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2CCCN2C)c(N)n1
InChIInChI=1S/C12H23N5O2S/c1-3-6-17-9-11(12(13)15-17)20(18,19)14-8-10-5-4-7-16(10)2/h9-10,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyPXGXBWPICVGXBP-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.25
Rot. Bonds6

About 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide

3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 106022301) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
PubChem CID106022301
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2CCCN2C)c(N)n1
InChIInChI=1S/C12H23N5O2S/c1-3-6-17-9-11(12(13)15-17)20(18,19)14-8-10-5-4-7-16(10)2/h9-10,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyPXGXBWPICVGXBP-UHFFFAOYSA-N
XLogP0.25
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
CID 63242905
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 79304613
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
CID 60919717
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 60813192
3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61170162
3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide
CID 113485263
3-amino-N-(1-methylpyrrolidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61462052
3-amino-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 63242904
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrrole-3-sulfonamide
CID 106094824
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106369265

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide (CID 106022301) is 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC2CCCN2C)c(N)n1.
What is the InChIKey of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is PXGXBWPICVGXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-3-6-17-9-11(12(13)15-17)20(18,19)14-8-10-5-4-7-16(10)2/h9-10,14H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide?
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 106022301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).