1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one

C16H17ClN2O2 — CID 713289

IUPAC1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one
SMILESCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2
InChIInChI=1S/C16H17ClN2O2/c1-3-11-16-12(5-4-6-14(16)20)19(18-11)13-9-10(17)7-8-15(13)21-2/h7-9H,3-6H2,1-2H3
InChIKeyZCKHZURODHRPRB-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.62
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one

1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 713289) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one
PubChem CID713289
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one
SMILESCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2
InChIInChI=1S/C16H17ClN2O2/c1-3-11-16-12(5-4-6-14(16)20)19(18-11)13-9-10(17)7-8-15(13)21-2/h7-9H,3-6H2,1-2H3
InChIKeyZCKHZURODHRPRB-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 1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one (CID 713289) is 1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one is CCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is ZCKHZURODHRPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-11-16-12(5-4-6-14(16)20)19(18-11)13-9-10(17)7-8-15(13)21-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one?
1-(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 1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 713289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).