2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole

C23H20N2O — CID 3829246

IUPAC2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole
SMILESCN1N=C2c3ccccc3OC(c3ccccc3)C2C1c1ccccc1
InChIInChI=1S/C23H20N2O/c1-25-22(16-10-4-2-5-11-16)20-21(24-25)18-14-8-9-15-19(18)26-23(20)17-12-6-3-7-13-17/h2-15,20,22-23H,1H3
InChIKeyMDSIRHKMGCCZOM-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.83
Rot. Bonds2

About 2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole

2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole (PubChem CID 3829246) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole.

Molecular Properties

Compound Name2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole
PubChem CID3829246
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole
SMILESCN1N=C2c3ccccc3OC(c3ccccc3)C2C1c1ccccc1
InChIInChI=1S/C23H20N2O/c1-25-22(16-10-4-2-5-11-16)20-21(24-25)18-14-8-9-15-19(18)26-23(20)17-12-6-3-7-13-17/h2-15,20,22-23H,1H3
InChIKeyMDSIRHKMGCCZOM-UHFFFAOYSA-N
XLogP4.83
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole?
The IUPAC name of 2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole (CID 3829246) is 2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole.
What is the SMILES notation for 2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole?
The canonical SMILES for 2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole is CN1N=C2c3ccccc3OC(c3ccccc3)C2C1c1ccccc1.
What is the InChIKey of 2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole?
The InChIKey is MDSIRHKMGCCZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-25-22(16-10-4-2-5-11-16)20-21(24-25)18-14-8-9-15-19(18)26-23(20)17-12-6-3-7-13-17/h2-15,20,22-23H,1H3.
What are the key properties of 2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole?
2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole has a molecular weight of 340.43 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole is sourced from PubChem (CID 3829246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).