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

C16H12N2O — CID 15557593

IUPAC1-phenyl-4H-chromeno[3,4-d]pyrazole
SMILESc1ccc(-n2ncc3c2-c2ccccc2OC3)cc1
InChIInChI=1S/C16H12N2O/c1-2-6-13(7-3-1)18-16-12(10-17-18)11-19-15-9-5-4-8-14(15)16/h1-10H,11H2
InChIKeyYAFFAGCMGHOWRN-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.43
Rot. Bonds1

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

1-phenyl-4H-chromeno[3,4-d]pyrazole (PubChem CID 15557593) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-phenyl-4H-chromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name1-phenyl-4H-chromeno[3,4-d]pyrazole
PubChem CID15557593
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name1-phenyl-4H-chromeno[3,4-d]pyrazole
SMILESc1ccc(-n2ncc3c2-c2ccccc2OC3)cc1
InChIInChI=1S/C16H12N2O/c1-2-6-13(7-3-1)18-16-12(10-17-18)11-19-15-9-5-4-8-14(15)16/h1-10H,11H2
InChIKeyYAFFAGCMGHOWRN-UHFFFAOYSA-N
XLogP3.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-4H-chromeno[3,4-d]pyrazole 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-phenyl-4H-chromeno[3,4-d]pyrazole?
The IUPAC name of 1-phenyl-4H-chromeno[3,4-d]pyrazole (CID 15557593) is 1-phenyl-4H-chromeno[3,4-d]pyrazole.
What is the SMILES notation for 1-phenyl-4H-chromeno[3,4-d]pyrazole?
The canonical SMILES for 1-phenyl-4H-chromeno[3,4-d]pyrazole is c1ccc(-n2ncc3c2-c2ccccc2OC3)cc1.
What is the InChIKey of 1-phenyl-4H-chromeno[3,4-d]pyrazole?
The InChIKey is YAFFAGCMGHOWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-2-6-13(7-3-1)18-16-12(10-17-18)11-19-15-9-5-4-8-14(15)16/h1-10H,11H2.
What are the key properties of 1-phenyl-4H-chromeno[3,4-d]pyrazole?
1-phenyl-4H-chromeno[3,4-d]pyrazole has a molecular weight of 248.29 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4H-chromeno[3,4-d]pyrazole is sourced from PubChem (CID 15557593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).