3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide

C8H15N3O3S — CID 62407958

IUPAC3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide
SMILESCOCc1cc(S(N)(=O)=O)n(C(C)C)n1
InChIInChI=1S/C8H15N3O3S/c1-6(2)11-8(15(9,12)13)4-7(10-11)5-14-3/h4,6H,5H2,1-3H3,(H2,9,12,13)
InChIKeyFNUQKTLLOAKKSF-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.26
Rot. Bonds4

About 3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide

3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide (PubChem CID 62407958) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide
PubChem CID62407958
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide
SMILESCOCc1cc(S(N)(=O)=O)n(C(C)C)n1
InChIInChI=1S/C8H15N3O3S/c1-6(2)11-8(15(9,12)13)4-7(10-11)5-14-3/h4,6H,5H2,1-3H3,(H2,9,12,13)
InChIKeyFNUQKTLLOAKKSF-UHFFFAOYSA-N
XLogP0.26
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-pentan-3-ylpyrazole-5-sulfonamide
CID 62410448
3-(methoxymethyl)-1,2-oxazole-5-sulfonamide
CID 167722633
1-benzyl-3-(methoxymethyl)pyrazole-5-sulfonyl chloride
CID 55071101
1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one
CID 170286805
methyl 5-fluorosulfonyl-1-propan-2-ylpyrazole-3-carboxylate
CID 165460531
1-tert-butyl-3-propylpyrazole-5-sulfonamide
CID 62408137
5-bromo-3-(methoxymethyl)-1-methylpyrazole
CID 105456952
1-butyl-3-propan-2-ylpyrazole-5-sulfonamide
CID 62410069
5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine
CID 117217260
3-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine
CID 117216038
1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid
CID 117216170
2-(methoxymethyl)-4-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 167293827

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide?
The IUPAC name of 3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide (CID 62407958) is 3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide.
What is the SMILES notation for 3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide?
The canonical SMILES for 3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide is COCc1cc(S(N)(=O)=O)n(C(C)C)n1.
What is the InChIKey of 3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide?
The InChIKey is FNUQKTLLOAKKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-6(2)11-8(15(9,12)13)4-7(10-11)5-14-3/h4,6H,5H2,1-3H3,(H2,9,12,13).
What are the key properties of 3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide?
3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide is sourced from PubChem (CID 62407958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).