4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide

C14H20N4O2S — CID 73355561

IUPAC4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide
SMILESCCCCc1c(C)nn(-c2ccncc2S(N)(=O)=O)c1C
InChIInChI=1S/C14H20N4O2S/c1-4-5-6-12-10(2)17-18(11(12)3)13-7-8-16-9-14(13)21(15,19)20/h7-9H,4-6H2,1-3H3,(H2,15,19,20)
InChIKeyCKSYHALTDNVTKG-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.87
Rot. Bonds5

About 4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide

4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide (PubChem CID 73355561) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide
PubChem CID73355561
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide
SMILESCCCCc1c(C)nn(-c2ccncc2S(N)(=O)=O)c1C
InChIInChI=1S/C14H20N4O2S/c1-4-5-6-12-10(2)17-18(11(12)3)13-7-8-16-9-14(13)21(15,19)20/h7-9H,4-6H2,1-3H3,(H2,15,19,20)
InChIKeyCKSYHALTDNVTKG-UHFFFAOYSA-N
XLogP1.87
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide (CID 73355561) is 4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide is CCCCc1c(C)nn(-c2ccncc2S(N)(=O)=O)c1C.
What is the InChIKey of 4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide?
The InChIKey is CKSYHALTDNVTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-5-6-12-10(2)17-18(11(12)3)13-7-8-16-9-14(13)21(15,19)20/h7-9H,4-6H2,1-3H3,(H2,15,19,20).
What are the key properties of 4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide?
4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 73355561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).