N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide

C14H17N5O2S — CID 84592671

IUPACN-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C14H17N5O2S/c1-4-11-14(12(5-2)19(3)17-11)22(20,21)18-13-7-6-10(8-15)9-16-13/h6-7,9H,4-5H2,1-3H3,(H,16,18)
InChIKeyHHJCZTSFWDVZKP-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.61
Rot. Bonds5

About N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide

N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide (PubChem CID 84592671) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide
PubChem CID84592671
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C14H17N5O2S/c1-4-11-14(12(5-2)19(3)17-11)22(20,21)18-13-7-6-10(8-15)9-16-13/h6-7,9H,4-5H2,1-3H3,(H,16,18)
InChIKeyHHJCZTSFWDVZKP-UHFFFAOYSA-N
XLogP1.61
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide (CID 84592671) is N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide is CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide?
The InChIKey is HHJCZTSFWDVZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-4-11-14(12(5-2)19(3)17-11)22(20,21)18-13-7-6-10(8-15)9-16-13/h6-7,9H,4-5H2,1-3H3,(H,16,18).
What are the key properties of N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide?
N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide has a molecular weight of 319.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 84592671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).