8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C19H16N4O3 — CID 58859508

IUPAC8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccccc1)CO2
InChIInChI=1S/C19H16N4O3/c1-11(24)21-12-7-8-16-14(9-12)18-15(10-26-16)17(19(20)25)22-23(18)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H2,20,25)(H,21,24)
InChIKeyLXCWYPCCSGGWIC-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.49
Rot. Bonds3

About 8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 58859508) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID58859508
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccccc1)CO2
InChIInChI=1S/C19H16N4O3/c1-11(24)21-12-7-8-16-14(9-12)18-15(10-26-16)17(19(20)25)22-23(18)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H2,20,25)(H,21,24)
InChIKeyLXCWYPCCSGGWIC-UHFFFAOYSA-N
XLogP2.49
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide 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-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 58859508) is 8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CC(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccccc1)CO2.
What is the InChIKey of 8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is LXCWYPCCSGGWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-11(24)21-12-7-8-16-14(9-12)18-15(10-26-16)17(19(20)25)22-23(18)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H2,20,25)(H,21,24).
What are the key properties of 8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 58859508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).