3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole

C23H19FN2O — CID 127051147

IUPAC3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole
SMILESCN1N=C2c3ccccc3OC(c3ccccc3)C2C1c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O/c1-26-22(15-11-13-17(24)14-12-15)20-21(25-26)18-9-5-6-10-19(18)27-23(20)16-7-3-2-4-8-16/h2-14,20,22-23H,1H3
InChIKeyGLOJXKHRBBEESB-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.97
Rot. Bonds2

About 3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole

3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole (PubChem CID 127051147) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole
PubChem CID127051147
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole
SMILESCN1N=C2c3ccccc3OC(c3ccccc3)C2C1c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O/c1-26-22(15-11-13-17(24)14-12-15)20-21(25-26)18-9-5-6-10-19(18)27-23(20)16-7-3-2-4-8-16/h2-14,20,22-23H,1H3
InChIKeyGLOJXKHRBBEESB-UHFFFAOYSA-N
XLogP4.97
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole (CID 127051147) is 3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole is CN1N=C2c3ccccc3OC(c3ccccc3)C2C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole?
The InChIKey is GLOJXKHRBBEESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O/c1-26-22(15-11-13-17(24)14-12-15)20-21(25-26)18-9-5-6-10-19(18)27-23(20)16-7-3-2-4-8-16/h2-14,20,22-23H,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole?
3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole has a molecular weight of 358.42 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-4-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole is sourced from PubChem (CID 127051147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).