1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one

C19H23ClN2O2 — CID 713295

IUPAC1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one
SMILESCCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H23ClN2O2/c1-5-6-13-18-15(10-19(2,3)11-16(18)23)22(21-13)14-9-12(20)7-8-17(14)24-4/h7-9H,5-6,10-11H2,1-4H3
InChIKeyIVWWDZVJBBHMPU-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.64
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one

1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one (PubChem CID 713295) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one
PubChem CID713295
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one
SMILESCCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H23ClN2O2/c1-5-6-13-18-15(10-19(2,3)11-16(18)23)22(21-13)14-9-12(20)7-8-17(14)24-4/h7-9H,5-6,10-11H2,1-4H3
InChIKeyIVWWDZVJBBHMPU-UHFFFAOYSA-N
XLogP4.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.64
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)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one (CID 713295) is 1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one is CCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one?
The InChIKey is IVWWDZVJBBHMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-5-6-13-18-15(10-19(2,3)11-16(18)23)22(21-13)14-9-12(20)7-8-17(14)24-4/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one?
1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one has a molecular weight of 346.86 g/mol, XLogP of 4.64, 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)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 713295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).