1-methyl-5-propanoylpyrazole-3-sulfonamide

C7H11N3O3S — CID 142588011

IUPAC1-methyl-5-propanoylpyrazole-3-sulfonamide
SMILESCCC(=O)c1cc(S(N)(=O)=O)nn1C
InChIInChI=1S/C7H11N3O3S/c1-3-6(11)5-4-7(9-10(5)2)14(8,12)13/h4H,3H2,1-2H3,(H2,8,12,13)
InChIKeyAMJOUAMXDGZINR-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.34
Rot. Bonds3

About 1-methyl-5-propanoylpyrazole-3-sulfonamide

1-methyl-5-propanoylpyrazole-3-sulfonamide (PubChem CID 142588011) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 1-methyl-5-propanoylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-propanoylpyrazole-3-sulfonamide
PubChem CID142588011
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name1-methyl-5-propanoylpyrazole-3-sulfonamide
SMILESCCC(=O)c1cc(S(N)(=O)=O)nn1C
InChIInChI=1S/C7H11N3O3S/c1-3-6(11)5-4-7(9-10(5)2)14(8,12)13/h4H,3H2,1-2H3,(H2,8,12,13)
InChIKeyAMJOUAMXDGZINR-UHFFFAOYSA-N
XLogP-0.34
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propanoylpyrazole-3-sulfonamide?
The IUPAC name of 1-methyl-5-propanoylpyrazole-3-sulfonamide (CID 142588011) is 1-methyl-5-propanoylpyrazole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-propanoylpyrazole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-propanoylpyrazole-3-sulfonamide is CCC(=O)c1cc(S(N)(=O)=O)nn1C.
What is the InChIKey of 1-methyl-5-propanoylpyrazole-3-sulfonamide?
The InChIKey is AMJOUAMXDGZINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-3-6(11)5-4-7(9-10(5)2)14(8,12)13/h4H,3H2,1-2H3,(H2,8,12,13).
What are the key properties of 1-methyl-5-propanoylpyrazole-3-sulfonamide?
1-methyl-5-propanoylpyrazole-3-sulfonamide has a molecular weight of 217.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propanoylpyrazole-3-sulfonamide is sourced from PubChem (CID 142588011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).