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

C17H19ClN2O2 — CID 713301

IUPAC1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one
SMILESCCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2
InChIInChI=1S/C17H19ClN2O2/c1-3-5-12-17-13(6-4-7-15(17)21)20(19-12)14-10-11(18)8-9-16(14)22-2/h8-10H,3-7H2,1-2H3
InChIKeyJEDIBJWOEOQXHT-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.01
Rot. Bonds4

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

1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 713301) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one
PubChem CID713301
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one
SMILESCCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2
InChIInChI=1S/C17H19ClN2O2/c1-3-5-12-17-13(6-4-7-15(17)21)20(19-12)14-10-11(18)8-9-16(14)22-2/h8-10H,3-7H2,1-2H3
InChIKeyJEDIBJWOEOQXHT-UHFFFAOYSA-N
XLogP4.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.01
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-propyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one (CID 713301) is 1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one is CCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is JEDIBJWOEOQXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-3-5-12-17-13(6-4-7-15(17)21)20(19-12)14-10-11(18)8-9-16(14)22-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one?
1-(5-chloro-2-methoxyphenyl)-3-propyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 318.80 g/mol, XLogP of 4.01, 4 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-propyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 713301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).