5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide

C14H23N5O2S — CID 71863454

IUPAC5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(NS(=O)(=O)c2cn[nH]c2C(C)(C)C)c1C
InChIInChI=1S/C14H23N5O2S/c1-7-19-10(3)12(9(2)17-19)18-22(20,21)11-8-15-16-13(11)14(4,5)6/h8,18H,7H2,1-6H3,(H,15,16)
InChIKeyYBJNXVVJZHZZTR-UHFFFAOYSA-N
MW325.44 g/mol
LogP2.34
Rot. Bonds4

About 5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide

5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 71863454) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID71863454
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(NS(=O)(=O)c2cn[nH]c2C(C)(C)C)c1C
InChIInChI=1S/C14H23N5O2S/c1-7-19-10(3)12(9(2)17-19)18-22(20,21)11-8-15-16-13(11)14(4,5)6/h8,18H,7H2,1-6H3,(H,15,16)
InChIKeyYBJNXVVJZHZZTR-UHFFFAOYSA-N
XLogP2.34
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (CID 71863454) is 5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is CCn1nc(C)c(NS(=O)(=O)c2cn[nH]c2C(C)(C)C)c1C.
What is the InChIKey of 5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YBJNXVVJZHZZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-7-19-10(3)12(9(2)17-19)18-22(20,21)11-8-15-16-13(11)14(4,5)6/h8,18H,7H2,1-6H3,(H,15,16).
What are the key properties of 5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 325.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 71863454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).