3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole

C22H24N4O3S — CID 11517468

IUPAC3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole
SMILESCCc1nn(CCOC)c2cc(-c3ccnn3-c3ccc(S(C)(=O)=O)cc3)ccc12
InChIInChI=1S/C22H24N4O3S/c1-4-20-19-10-5-16(15-22(19)25(24-20)13-14-29-2)21-11-12-23-26(21)17-6-8-18(9-7-17)30(3,27)28/h5-12,15H,4,13-14H2,1-3H3
InChIKeyQTGHZDMDTIDMGI-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.50
Rot. Bonds7

About 3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole

3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole (PubChem CID 11517468) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole
PubChem CID11517468
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole
SMILESCCc1nn(CCOC)c2cc(-c3ccnn3-c3ccc(S(C)(=O)=O)cc3)ccc12
InChIInChI=1S/C22H24N4O3S/c1-4-20-19-10-5-16(15-22(19)25(24-20)13-14-29-2)21-11-12-23-26(21)17-6-8-18(9-7-17)30(3,27)28/h5-12,15H,4,13-14H2,1-3H3
InChIKeyQTGHZDMDTIDMGI-UHFFFAOYSA-N
XLogP3.50
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole?
The IUPAC name of 3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole (CID 11517468) is 3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole?
The canonical SMILES for 3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole is CCc1nn(CCOC)c2cc(-c3ccnn3-c3ccc(S(C)(=O)=O)cc3)ccc12.
What is the InChIKey of 3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole?
The InChIKey is QTGHZDMDTIDMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-4-20-19-10-5-16(15-22(19)25(24-20)13-14-29-2)21-11-12-23-26(21)17-6-8-18(9-7-17)30(3,27)28/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole?
3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole has a molecular weight of 424.53 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethyl)-6-[2-(4-methylsulfonylphenyl)pyrazol-3-yl]indazole is sourced from PubChem (CID 11517468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).