3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine

C26H21FN4O — CID 127029079

IUPAC3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESCOc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C26H21FN4O/c1-32-22-13-9-19(10-14-22)24-17-25(20-7-11-21(27)12-8-20)31(30-24)26-16-15-23(28-29-26)18-5-3-2-4-6-18/h2-16,25H,17H2,1H3
InChIKeyAHOUCXPHWRADAL-UHFFFAOYSA-N
MW424.48 g/mol
LogP5.65
Rot. Bonds5

About 3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine

3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (PubChem CID 127029079) has the molecular formula C26H21FN4O and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
PubChem CID127029079
Molecular FormulaC26H21FN4O
Molecular Weight424.48 g/mol
Exact Mass424.17
IUPAC Name3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESCOc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C26H21FN4O/c1-32-22-13-9-19(10-14-22)24-17-25(20-7-11-21(27)12-8-20)31(30-24)26-16-15-23(28-29-26)18-5-3-2-4-6-18/h2-16,25H,17H2,1H3
InChIKeyAHOUCXPHWRADAL-UHFFFAOYSA-N
XLogP5.65
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The IUPAC name of 3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (CID 127029079) is 3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is COc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The InChIKey is AHOUCXPHWRADAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O/c1-32-22-13-9-19(10-14-22)24-17-25(20-7-11-21(27)12-8-20)31(30-24)26-16-15-23(28-29-26)18-5-3-2-4-6-18/h2-16,25H,17H2,1H3.
What are the key properties of 3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine has a molecular weight of 424.48 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is sourced from PubChem (CID 127029079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).