5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide

C10H18N4O3S — CID 82460021

IUPAC5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(N)c1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C10H18N4O3S/c1-7-9(10(11)14(2)13-7)18(15,16)12-6-8-4-3-5-17-8/h8,12H,3-6,11H2,1-2H3
InChIKeyFASZBZFLGVUHDS-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.23
Rot. Bonds4

About 5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide

5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 82460021) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID82460021
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(N)c1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C10H18N4O3S/c1-7-9(10(11)14(2)13-7)18(15,16)12-6-8-4-3-5-17-8/h8,12H,3-6,11H2,1-2H3
InChIKeyFASZBZFLGVUHDS-UHFFFAOYSA-N
XLogP-0.23
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 105358949
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105905396
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 19682487
1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
CID 35764601
1-ethyl-3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
CID 35764602
1-ethyl-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 56725247
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 65801451
1-(3-aminopropyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 65801874
1-(2-aminoethyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 65802073
N-(4-amino-1,3-dimethylpyrazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 80356856
5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 82459998
5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide
CID 82460000

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide (CID 82460021) is 5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C)c(N)c1S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is FASZBZFLGVUHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7-9(10(11)14(2)13-7)18(15,16)12-6-8-4-3-5-17-8/h8,12H,3-6,11H2,1-2H3.
What are the key properties of 5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 82460021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).