3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine

C25H18Cl2N4 — CID 127029075

IUPAC3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESClc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C25H18Cl2N4/c26-20-10-6-18(7-11-20)23-16-24(19-8-12-21(27)13-9-19)31(30-23)25-15-14-22(28-29-25)17-4-2-1-3-5-17/h1-15,24H,16H2
InChIKeyJAZWCLJKWUFJEZ-UHFFFAOYSA-N
MW445.35 g/mol
LogP6.81
Rot. Bonds4

About 3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine

3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (PubChem CID 127029075) has the molecular formula C25H18Cl2N4 and a molecular weight of 445.35 g/mol. Its IUPAC name is 3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
PubChem CID127029075
Molecular FormulaC25H18Cl2N4
Molecular Weight445.35 g/mol
Exact Mass444.09
IUPAC Name3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESClc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C25H18Cl2N4/c26-20-10-6-18(7-11-20)23-16-24(19-8-12-21(27)13-9-19)31(30-23)25-15-14-22(28-29-25)17-4-2-1-3-5-17/h1-15,24H,16H2
InChIKeyJAZWCLJKWUFJEZ-UHFFFAOYSA-N
XLogP6.81
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The IUPAC name of 3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (CID 127029075) is 3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is Clc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The InChIKey is JAZWCLJKWUFJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4/c26-20-10-6-18(7-11-20)23-16-24(19-8-12-21(27)13-9-19)31(30-23)25-15-14-22(28-29-25)17-4-2-1-3-5-17/h1-15,24H,16H2.
What are the key properties of 3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine has a molecular weight of 445.35 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is sourced from PubChem (CID 127029075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).