4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole

C16H12N2O — CID 133064961

IUPAC4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESc1ccc(C2Oc3ccccc3-c3[nH]ncc32)cc1
InChIInChI=1S/C16H12N2O/c1-2-6-11(7-3-1)16-13-10-17-18-15(13)12-8-4-5-9-14(12)19-16/h1-10,16H,(H,17,18)
InChIKeyYXEVXUOQRWEZOV-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.56
Rot. Bonds1

About 4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole

4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 133064961) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID133064961
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESc1ccc(C2Oc3ccccc3-c3[nH]ncc32)cc1
InChIInChI=1S/C16H12N2O/c1-2-6-11(7-3-1)16-13-10-17-18-15(13)12-8-4-5-9-14(12)19-16/h1-10,16H,(H,17,18)
InChIKeyYXEVXUOQRWEZOV-UHFFFAOYSA-N
XLogP3.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-1,4-dihydrochromeno[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

Related Compounds

5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
CID 2806185
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293
5-(4-Butoxy-phenyl)-4-methyl-1H-pyrazole
CID 11322177
2,4-Dihydrochromeno[4,3-c]pyrazole
CID 3785748
3,4-bis(4-methoxyphenyl)-1H-pyrazole
CID 3835198
(E)-3-fluoro-2-[[4-(4-methyl-1H-pyrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512238
(Z)-3-fluoro-2-[[4-(4-methyl-1H-pyrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369033
3-(2-Methoxyphenyl)-1H-pyrazole
CID 2736764
1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylmethoxypiperidine
CID 16191990
4,4-dimethyl-7-(2-methyloctan-2-yl)-9-phenylmethoxy-1H-chromeno[3,4-d]pyrazole
CID 155531278

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole (CID 133064961) is 4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole is c1ccc(C2Oc3ccccc3-c3[nH]ncc32)cc1.
What is the InChIKey of 4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is YXEVXUOQRWEZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-2-6-11(7-3-1)16-13-10-17-18-15(13)12-8-4-5-9-14(12)19-16/h1-10,16H,(H,17,18).
What are the key properties of 4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 248.29 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 133064961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).