3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide

C11H20N4O3S — CID 105359105

IUPAC3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC2(C)CCCO2)c(N)nn1C
InChIInChI=1S/C11H20N4O3S/c1-8-9(10(12)14-15(8)3)19(16,17)13-7-11(2)5-4-6-18-11/h13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyFKQQMQJJEVWRMY-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.16
Rot. Bonds4

About 3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 105359105) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide
PubChem CID105359105
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC2(C)CCCO2)c(N)nn1C
InChIInChI=1S/C11H20N4O3S/c1-8-9(10(12)14-15(8)3)19(16,17)13-7-11(2)5-4-6-18-11/h13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyFKQQMQJJEVWRMY-UHFFFAOYSA-N
XLogP0.16
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.16
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-(2-aminoethyl)-3,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide
CID 80187602
5-amino-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 82460007
5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 82460008
5-amino-N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 82460020
5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 82460021
1,5-Dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine
CID 102742714
[1-(3-Amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102777074
4-(3-Methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 102955223
4-(3-Methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 102955313
1-(3-Amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103355070

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide (CID 105359105) is 3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC2(C)CCCO2)c(N)nn1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is FKQQMQJJEVWRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8-9(10(12)14-15(8)3)19(16,17)13-7-11(2)5-4-6-18-11/h13H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 105359105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).