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

C12H16N4O3S — CID 61379305

IUPAC5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cccnc1OC(C)C
InChIInChI=1S/C12H16N4O3S/c1-8(2)19-12-10(5-4-6-13-12)16-20(17,18)11-7-14-15-9(11)3/h4-8,16H,1-3H3,(H,14,15)
InChIKeyFJWCJCOGJMGGJD-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.70
Rot. Bonds5

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

5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61379305) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide
PubChem CID61379305
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cccnc1OC(C)C
InChIInChI=1S/C12H16N4O3S/c1-8(2)19-12-10(5-4-6-13-12)16-20(17,18)11-7-14-15-9(11)3/h4-8,16H,1-3H3,(H,14,15)
InChIKeyFJWCJCOGJMGGJD-UHFFFAOYSA-N
XLogP1.70
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide (CID 61379305) is 5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1cccnc1OC(C)C.
What is the InChIKey of 5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is FJWCJCOGJMGGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-8(2)19-12-10(5-4-6-13-12)16-20(17,18)11-7-14-15-9(11)3/h4-8,16H,1-3H3,(H,14,15).
What are the key properties of 5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61379305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).