5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide

C11H20N4O3S — CID 82459894

IUPAC5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1ncc(S(=O)(=O)NCC2CCCO2)c1N
InChIInChI=1S/C11H20N4O3S/c1-2-5-15-11(12)10(8-13-15)19(16,17)14-7-9-4-3-6-18-9/h8-9,14H,2-7,12H2,1H3
InChIKeyHMJFZANYQSSRSS-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.33
Rot. Bonds6

About 5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide

5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 82459894) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide
PubChem CID82459894
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1ncc(S(=O)(=O)NCC2CCCO2)c1N
InChIInChI=1S/C11H20N4O3S/c1-2-5-15-11(12)10(8-13-15)19(16,17)14-7-9-4-3-6-18-9/h8-9,14H,2-7,12H2,1H3
InChIKeyHMJFZANYQSSRSS-UHFFFAOYSA-N
XLogP0.33
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-butyl-1-propylpyrazole-4-sulfonamide
CID 82459881
3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 55014323
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
2,3,4,5-tetramethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51681797
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 25041317
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43098597
2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 54888363
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide (CID 82459894) is 5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide is CCCn1ncc(S(=O)(=O)NCC2CCCO2)c1N.
What is the InChIKey of 5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is HMJFZANYQSSRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-2-5-15-11(12)10(8-13-15)19(16,17)14-7-9-4-3-6-18-9/h8-9,14H,2-7,12H2,1H3.
What are the key properties of 5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide?
5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 82459894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).