2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one

C16H17ClN2O2 — CID 713291

IUPAC2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one
SMILESCCc1c2c(nn1-c1cc(Cl)ccc1OC)CCCC2=O
InChIInChI=1S/C16H17ClN2O2/c1-3-12-16-11(5-4-6-14(16)20)18-19(12)13-9-10(17)7-8-15(13)21-2/h7-9H,3-6H2,1-2H3
InChIKeyZTHQOAUOFARUBH-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.62
Rot. Bonds3

About 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one

2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 713291) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one
PubChem CID713291
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one
SMILESCCc1c2c(nn1-c1cc(Cl)ccc1OC)CCCC2=O
InChIInChI=1S/C16H17ClN2O2/c1-3-12-16-11(5-4-6-14(16)20)18-19(12)13-9-10(17)7-8-15(13)21-2/h7-9H,3-6H2,1-2H3
InChIKeyZTHQOAUOFARUBH-UHFFFAOYSA-N
XLogP3.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one (CID 713291) is 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one is CCc1c2c(nn1-c1cc(Cl)ccc1OC)CCCC2=O.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is ZTHQOAUOFARUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-12-16-11(5-4-6-14(16)20)18-19(12)13-9-10(17)7-8-15(13)21-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one?
2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 304.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 713291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).