1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol

C23H26N4O3S — CID 68714072

IUPAC1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol
SMILESCCc1nn(CC(C)(C)O)c2cc(-c3ccnn3-c3ccccc3S(C)(=O)=O)ccc12
InChIInChI=1S/C23H26N4O3S/c1-5-18-17-11-10-16(14-21(17)26(25-18)15-23(2,3)28)19-12-13-24-27(19)20-8-6-7-9-22(20)31(4,29)30/h6-14,28H,5,15H2,1-4H3
InChIKeyOFQLUBRSOJCQHK-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.63
Rot. Bonds6

About 1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol

1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol (PubChem CID 68714072) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol
PubChem CID68714072
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol
SMILESCCc1nn(CC(C)(C)O)c2cc(-c3ccnn3-c3ccccc3S(C)(=O)=O)ccc12
InChIInChI=1S/C23H26N4O3S/c1-5-18-17-11-10-16(14-21(17)26(25-18)15-23(2,3)28)19-12-13-24-27(19)20-8-6-7-9-22(20)31(4,29)30/h6-14,28H,5,15H2,1-4H3
InChIKeyOFQLUBRSOJCQHK-UHFFFAOYSA-N
XLogP3.63
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol (CID 68714072) is 1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol is CCc1nn(CC(C)(C)O)c2cc(-c3ccnn3-c3ccccc3S(C)(=O)=O)ccc12.
What is the InChIKey of 1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is OFQLUBRSOJCQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-5-18-17-11-10-16(14-21(17)26(25-18)15-23(2,3)28)19-12-13-24-27(19)20-8-6-7-9-22(20)31(4,29)30/h6-14,28H,5,15H2,1-4H3.
What are the key properties of 1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol?
1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 438.55 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-6-[2-(2-methylsulfonylphenyl)pyrazol-3-yl]indazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 68714072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).