3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide

C13H25N5O2S — CID 63315016

IUPAC3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCN(C)C2CCCC2)c(N)n1
InChIInChI=1S/C13H25N5O2S/c1-3-18-10-12(13(14)16-18)21(19,20)15-8-9-17(2)11-6-4-5-7-11/h10-11,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyUULZHKUGYVWWPC-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.64
Rot. Bonds7

About 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide

3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 63315016) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID63315016
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCN(C)C2CCCC2)c(N)n1
InChIInChI=1S/C13H25N5O2S/c1-3-18-10-12(13(14)16-18)21(19,20)15-8-9-17(2)11-6-4-5-7-11/h10-11,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyUULZHKUGYVWWPC-UHFFFAOYSA-N
XLogP0.64
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide
CID 62976625
3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide
CID 54922474
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63316665
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
CID 60919717
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218
3-amino-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 63242904
3-amino-1-ethyl-N-(2-methoxycyclopentyl)pyrazole-4-sulfonamide
CID 62087291
3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide
CID 106358780
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide (CID 63315016) is 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCN(C)C2CCCC2)c(N)n1.
What is the InChIKey of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is UULZHKUGYVWWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-3-18-10-12(13(14)16-18)21(19,20)15-8-9-17(2)11-6-4-5-7-11/h10-11,15H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide?
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 63315016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).