3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide

C13H18N4O3S — CID 61379259

IUPAC3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccnc1OC(C)C
InChIInChI=1S/C13H18N4O3S/c1-8(2)20-13-11(6-5-7-14-13)17-21(18,19)12-9(3)15-16-10(12)4/h5-8,17H,1-4H3,(H,15,16)
InChIKeyVHGUNOTYAHMYMR-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.01
Rot. Bonds5

About 3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61379259) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide
PubChem CID61379259
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccnc1OC(C)C
InChIInChI=1S/C13H18N4O3S/c1-8(2)20-13-11(6-5-7-14-13)17-21(18,19)12-9(3)15-16-10(12)4/h5-8,17H,1-4H3,(H,15,16)
InChIKeyVHGUNOTYAHMYMR-UHFFFAOYSA-N
XLogP2.01
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide (CID 61379259) is 3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccnc1OC(C)C.
What is the InChIKey of 3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VHGUNOTYAHMYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8(2)20-13-11(6-5-7-14-13)17-21(18,19)12-9(3)15-16-10(12)4/h5-8,17H,1-4H3,(H,15,16).
What are the key properties of 3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61379259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).