1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone

C15H15N3O2 — CID 171976478

IUPAC1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone
SMILESCC(=O)C1=C(N)Oc2n[nH]c(C)c2C1c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-8-11-13(10-6-4-3-5-7-10)12(9(2)19)14(16)20-15(11)18-17-8/h3-7,13H,16H2,1-2H3,(H,17,18)
InChIKeyTZRNPCOVBBTCTL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.00
Rot. Bonds2

About 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone

1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone (PubChem CID 171976478) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone
PubChem CID171976478
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone
SMILESCC(=O)C1=C(N)Oc2n[nH]c(C)c2C1c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-8-11-13(10-6-4-3-5-7-10)12(9(2)19)14(16)20-15(11)18-17-8/h3-7,13H,16H2,1-2H3,(H,17,18)
InChIKeyTZRNPCOVBBTCTL-UHFFFAOYSA-N
XLogP2.00
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone 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 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone?
The IUPAC name of 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone (CID 171976478) is 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone?
The canonical SMILES for 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone is CC(=O)C1=C(N)Oc2n[nH]c(C)c2C1c1ccccc1.
What is the InChIKey of 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone?
The InChIKey is TZRNPCOVBBTCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-8-11-13(10-6-4-3-5-7-10)12(9(2)19)14(16)20-15(11)18-17-8/h3-7,13H,16H2,1-2H3,(H,17,18).
What are the key properties of 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone?
1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone has a molecular weight of 269.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone is sourced from PubChem (CID 171976478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).