3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide

C11H20N4O3S — CID 106358780

IUPAC3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCC2CO)c(N)n1
InChIInChI=1S/C11H20N4O3S/c1-2-15-6-10(11(12)13-15)19(17,18)14-9-5-3-4-8(9)7-16/h6,8-9,14,16H,2-5,7H2,1H3,(H2,12,13)
InChIKeyYPGLUXBLNCUHRD-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.08
Rot. Bonds5

About 3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide

3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide (PubChem CID 106358780) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide
PubChem CID106358780
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCC2CO)c(N)n1
InChIInChI=1S/C11H20N4O3S/c1-2-15-6-10(11(12)13-15)19(17,18)14-9-5-3-4-8(9)7-16/h6,8-9,14,16H,2-5,7H2,1H3,(H2,12,13)
InChIKeyYPGLUXBLNCUHRD-UHFFFAOYSA-N
XLogP-0.08
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-ethyl-N-(2-methoxycyclopentyl)pyrazole-4-sulfonamide
CID 62087291
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927
3-amino-N-(2,2-dimethylcyclopentyl)-1-ethylpyrazole-4-sulfonamide
CID 79861218
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide
CID 107843719
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide
CID 63315016
3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide
CID 114628479
3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 61240299
3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815
3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide
CID 64656103
3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide
CID 54922474
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide (CID 106358780) is 3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCCC2CO)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide?
The InChIKey is YPGLUXBLNCUHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-2-15-6-10(11(12)13-15)19(17,18)14-9-5-3-4-8(9)7-16/h6,8-9,14,16H,2-5,7H2,1H3,(H2,12,13).
What are the key properties of 3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106358780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).