1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide

C15H28N4O2S — CID 42282672

IUPAC1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cn(C2CCCC2)nc1C
InChIInChI=1S/C15H28N4O2S/c1-4-18(5-2)11-10-16-22(20,21)15-12-19(17-13(15)3)14-8-6-7-9-14/h12,14,16H,4-11H2,1-3H3
InChIKeyYZNGFRCMUQOJEW-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.93
Rot. Bonds8

About 1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide

1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide (PubChem CID 42282672) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide
PubChem CID42282672
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Name1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cn(C2CCCC2)nc1C
InChIInChI=1S/C15H28N4O2S/c1-4-18(5-2)11-10-16-22(20,21)15-12-19(17-13(15)3)14-8-6-7-9-14/h12,14,16H,4-11H2,1-3H3
InChIKeyYZNGFRCMUQOJEW-UHFFFAOYSA-N
XLogP1.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide (CID 42282672) is 1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide is CCN(CC)CCNS(=O)(=O)c1cn(C2CCCC2)nc1C.
What is the InChIKey of 1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide?
The InChIKey is YZNGFRCMUQOJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-4-18(5-2)11-10-16-22(20,21)15-12-19(17-13(15)3)14-8-6-7-9-14/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide?
1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide has a molecular weight of 328.48 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).