3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one

C18H20N2O — CID 82590693

IUPAC3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1c(C1CC1)nn2CCc1ccccc1
InChIInChI=1S/C18H20N2O/c21-16-8-4-7-15-17(16)18(14-9-10-14)19-20(15)12-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKeyWQVBAAPWFVTACG-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.52
Rot. Bonds4

About 3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one

3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 82590693) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID82590693
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1c(C1CC1)nn2CCc1ccccc1
InChIInChI=1S/C18H20N2O/c21-16-8-4-7-15-17(16)18(14-9-10-14)19-20(15)12-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKeyWQVBAAPWFVTACG-UHFFFAOYSA-N
XLogP3.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indazole-3-carbonitrile
CID 82591124
3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587563
3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 141011928
3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 22732696
3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 82590928
1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one
CID 82590651
2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide
CID 82590569
1-[2-[5-cyclopropyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]azepan-2-one
CID 131914682
3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol
CID 82591186
3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one
CID 25460872
N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide
CID 42457455
3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one
CID 5039234

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one (CID 82590693) is 3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2c1c(C1CC1)nn2CCc1ccccc1.
What is the InChIKey of 3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is WQVBAAPWFVTACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-16-8-4-7-15-17(16)18(14-9-10-14)19-20(15)12-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2.
What are the key properties of 3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one?
3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 280.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 82590693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).