8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one

C17H19N3O2 — CID 174203302

IUPAC8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one
SMILESCc1cc(C(C)N)c2oc(-c3ccnn3C)c(C)c(=O)c2c1
InChIInChI=1S/C17H19N3O2/c1-9-7-12(11(3)18)17-13(8-9)15(21)10(2)16(22-17)14-5-6-19-20(14)4/h5-8,11H,18H2,1-4H3
InChIKeyFZZPNSRORVYZDA-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.83
Rot. Bonds2

About 8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one

8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one (PubChem CID 174203302) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one.

Molecular Properties

Compound Name8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one
PubChem CID174203302
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one
SMILESCc1cc(C(C)N)c2oc(-c3ccnn3C)c(C)c(=O)c2c1
InChIInChI=1S/C17H19N3O2/c1-9-7-12(11(3)18)17-13(8-9)15(21)10(2)16(22-17)14-5-6-19-20(14)4/h5-8,11H,18H2,1-4H3
InChIKeyFZZPNSRORVYZDA-UHFFFAOYSA-N
XLogP2.83
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one?
The IUPAC name of 8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one (CID 174203302) is 8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one.
What is the SMILES notation for 8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one?
The canonical SMILES for 8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one is Cc1cc(C(C)N)c2oc(-c3ccnn3C)c(C)c(=O)c2c1.
What is the InChIKey of 8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one?
The InChIKey is FZZPNSRORVYZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-9-7-12(11(3)18)17-13(8-9)15(21)10(2)16(22-17)14-5-6-19-20(14)4/h5-8,11H,18H2,1-4H3.
What are the key properties of 8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one?
8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one has a molecular weight of 297.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one is sourced from PubChem (CID 174203302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).