1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide

C13H24N4O2S — CID 106069166

IUPAC1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cnn(CCCN)c2)C1C
InChIInChI=1S/C13H24N4O2S/c1-10-4-5-13(11(10)2)16-20(18,19)12-8-15-17(9-12)7-3-6-14/h8-11,13,16H,3-7,14H2,1-2H3
InChIKeyXYVFXXRQTAEOHY-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.94
Rot. Bonds6

About 1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide (PubChem CID 106069166) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide
PubChem CID106069166
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cnn(CCCN)c2)C1C
InChIInChI=1S/C13H24N4O2S/c1-10-4-5-13(11(10)2)16-20(18,19)12-8-15-17(9-12)7-3-6-14/h8-11,13,16H,3-7,14H2,1-2H3
InChIKeyXYVFXXRQTAEOHY-UHFFFAOYSA-N
XLogP0.94
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(2,3-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106060239
1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603
2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 64909962
N-(2,3-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106060298
1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide
CID 106091562
1-(3-aminopropyl)-N-[(1-methylpiperidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106051046
1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
CID 106074259
3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine
CID 83223561
1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide
CID 106078488
1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide
CID 106001877

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide (CID 106069166) is 1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide is CC1CCC(NS(=O)(=O)c2cnn(CCCN)c2)C1C.
What is the InChIKey of 1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide?
The InChIKey is XYVFXXRQTAEOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10-4-5-13(11(10)2)16-20(18,19)12-8-15-17(9-12)7-3-6-14/h8-11,13,16H,3-7,14H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106069166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).