1-methyl-N-propylpyrazole-4-sulfonamide

C7H13N3O2S — CID 43258985

IUPAC1-methyl-N-propylpyrazole-4-sulfonamide
SMILESCCCNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C7H13N3O2S/c1-3-4-9-13(11,12)7-5-8-10(2)6-7/h5-6,9H,3-4H2,1-2H3
InChIKeyFVLYIVICPNNIFW-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.11
Rot. Bonds4

About 1-methyl-N-propylpyrazole-4-sulfonamide

1-methyl-N-propylpyrazole-4-sulfonamide (PubChem CID 43258985) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-methyl-N-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-propylpyrazole-4-sulfonamide
PubChem CID43258985
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-methyl-N-propylpyrazole-4-sulfonamide
SMILESCCCNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C7H13N3O2S/c1-3-4-9-13(11,12)7-5-8-10(2)6-7/h5-6,9H,3-4H2,1-2H3
InChIKeyFVLYIVICPNNIFW-UHFFFAOYSA-N
XLogP0.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propylpyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-propylpyrazole-4-sulfonamide (CID 43258985) is 1-methyl-N-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-propylpyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-propylpyrazole-4-sulfonamide is CCCNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-propylpyrazole-4-sulfonamide?
The InChIKey is FVLYIVICPNNIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-3-4-9-13(11,12)7-5-8-10(2)6-7/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 1-methyl-N-propylpyrazole-4-sulfonamide?
1-methyl-N-propylpyrazole-4-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 43258985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).