3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide

C9H18N4O5S — CID 107843719

IUPAC3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CO)(CO)CO)c(N)n1
InChIInChI=1S/C9H18N4O5S/c1-2-13-3-7(8(10)11-13)19(17,18)12-9(4-14,5-15)6-16/h3,12,14-16H,2,4-6H2,1H3,(H2,10,11)
InChIKeyZNAZCYWNXSIBCW-UHFFFAOYSA-N
MW294.33 g/mol
LogP-2.52
Rot. Bonds7

About 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide

3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 107843719) has the molecular formula C9H18N4O5S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide
PubChem CID107843719
Molecular FormulaC9H18N4O5S
Molecular Weight294.33 g/mol
Exact Mass294.10
IUPAC Name3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CO)(CO)CO)c(N)n1
InChIInChI=1S/C9H18N4O5S/c1-2-13-3-7(8(10)11-13)19(17,18)12-9(4-14,5-15)6-16/h3,12,14-16H,2,4-6H2,1H3,(H2,10,11)
InChIKeyZNAZCYWNXSIBCW-UHFFFAOYSA-N
XLogP-2.52
TPSA150.70 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-2.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide
CID 107843691
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
CID 63999689
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1-methylpyrazole-4-sulfonamide
CID 62524294
3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 83012354
1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea
CID 116646497
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218
3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide
CID 79551640
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide (CID 107843719) is 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(CO)(CO)CO)c(N)n1.
What is the InChIKey of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is ZNAZCYWNXSIBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O5S/c1-2-13-3-7(8(10)11-13)19(17,18)12-9(4-14,5-15)6-16/h3,12,14-16H,2,4-6H2,1H3,(H2,10,11).
What are the key properties of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide?
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 294.33 g/mol, XLogP of -2.52, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 107843719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).