4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole

C22H15FN2O — CID 163359912

IUPAC4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESFc1ccc(C2Oc3ccccc3-c3[nH]nc(-c4ccccc4)c32)cc1
InChIInChI=1S/C22H15FN2O/c23-16-12-10-15(11-13-16)22-19-20(14-6-2-1-3-7-14)24-25-21(19)17-8-4-5-9-18(17)26-22/h1-13,22H,(H,24,25)
InChIKeyKQJFXVPAGDWVEP-UHFFFAOYSA-N
MW342.37 g/mol
LogP5.36
Rot. Bonds2

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

4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 163359912) has the molecular formula C22H15FN2O and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID163359912
Molecular FormulaC22H15FN2O
Molecular Weight342.37 g/mol
Exact Mass342.12
IUPAC Name4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESFc1ccc(C2Oc3ccccc3-c3[nH]nc(-c4ccccc4)c32)cc1
InChIInChI=1S/C22H15FN2O/c23-16-12-10-15(11-13-16)22-19-20(14-6-2-1-3-7-14)24-25-21(19)17-8-4-5-9-18(17)26-22/h1-13,22H,(H,24,25)
InChIKeyKQJFXVPAGDWVEP-UHFFFAOYSA-N
XLogP5.36
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.37
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dihydrochromeno[4,3-c]pyrazole
CID 3785748
5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole
CID 23656797
(1)Benzopyrano(4,3-c)pyrazole, 2,4-dihydro-3-phenyl-
CID 1236282
3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole
CID 46888112
3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole
CID 71472821
5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 24828141
2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-9-methyl-3-(4-methylphenyl)-
CID 3079086
2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-methoxyphenyl)-9-methyl-
CID 3079088
(1)Benzopyrano(4,3-c)pyrazole, 2,4-dihydro-7-methoxy-3-phenyl-
CID 13573272
5-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole
CID 155516004
5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole
CID 132505617
5-(2-methoxyphenyl)-3-phenyl-1H-pyrazole
CID 17757399

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole (CID 163359912) is 4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole is Fc1ccc(C2Oc3ccccc3-c3[nH]nc(-c4ccccc4)c32)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is KQJFXVPAGDWVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O/c23-16-12-10-15(11-13-16)22-19-20(14-6-2-1-3-7-14)24-25-21(19)17-8-4-5-9-18(17)26-22/h1-13,22H,(H,24,25).
What are the key properties of 4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 342.37 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 163359912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).