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

C10H15N5O3S — CID 105358787

IUPAC3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2c(N)nn(C)c2C)no1
InChIInChI=1S/C10H15N5O3S/c1-6-4-8(14-18-6)5-12-19(16,17)9-7(2)15(3)13-10(9)11/h4,12H,5H2,1-3H3,(H2,11,13)
InChIKeyIFYCCHJZANZNTR-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.09
Rot. Bonds4

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

3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 105358787) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide
PubChem CID105358787
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2c(N)nn(C)c2C)no1
InChIInChI=1S/C10H15N5O3S/c1-6-4-8(14-18-6)5-12-19(16,17)9-7(2)15(3)13-10(9)11/h4,12H,5H2,1-3H3,(H2,11,13)
InChIKeyIFYCCHJZANZNTR-UHFFFAOYSA-N
XLogP0.09
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042
3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358092
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216
3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole
CID 47405494
3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide
CID 105359344
3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide
CID 105359105
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 81465783
3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide
CID 105359302
3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide
CID 105359297

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide (CID 105358787) is 3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide is Cc1cc(CNS(=O)(=O)c2c(N)nn(C)c2C)no1.
What is the InChIKey of 3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is IFYCCHJZANZNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-6-4-8(14-18-6)5-12-19(16,17)9-7(2)15(3)13-10(9)11/h4,12H,5H2,1-3H3,(H2,11,13).
What are the key properties of 3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 105358787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).