5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide

C11H17N5O2S — CID 71979609

IUPAC5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2cn[nH]c2C(C)(C)C)cn1
InChIInChI=1S/C11H17N5O2S/c1-11(2,3)10-9(6-12-14-10)19(17,18)15-8-5-13-16(4)7-8/h5-7,15H,1-4H3,(H,12,14)
InChIKeyVUAIFJHSZZVOSO-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.24
Rot. Bonds3

About 5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide

5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 71979609) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID71979609
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2cn[nH]c2C(C)(C)C)cn1
InChIInChI=1S/C11H17N5O2S/c1-11(2,3)10-9(6-12-14-10)19(17,18)15-8-5-13-16(4)7-8/h5-7,15H,1-4H3,(H,12,14)
InChIKeyVUAIFJHSZZVOSO-UHFFFAOYSA-N
XLogP1.24
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.24
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-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (CID 71979609) is 5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is Cn1cc(NS(=O)(=O)c2cn[nH]c2C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VUAIFJHSZZVOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-11(2,3)10-9(6-12-14-10)19(17,18)15-8-5-13-16(4)7-8/h5-7,15H,1-4H3,(H,12,14).
What are the key properties of 5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 1.24, 3 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-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 71979609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).