N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide

C12H24N4O2S — CID 86784645

IUPACN-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H24N4O2S/c1-5-10-12(11(6-2)16(4)14-10)19(17,18)15(3)9-7-8-13/h5-9,13H2,1-4H3
InChIKeyGGUYWWUIBHLXOU-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.51
Rot. Bonds7

About N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide

N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 86784645) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID86784645
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H24N4O2S/c1-5-10-12(11(6-2)16(4)14-10)19(17,18)15(3)9-7-8-13/h5-9,13H2,1-4H3
InChIKeyGGUYWWUIBHLXOU-UHFFFAOYSA-N
XLogP0.51
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide (CID 86784645) is N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide is CCc1nn(C)c(CC)c1S(=O)(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is GGUYWWUIBHLXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-5-10-12(11(6-2)16(4)14-10)19(17,18)15(3)9-7-8-13/h5-9,13H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide?
N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 86784645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).