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

C25H18Cl2N4 — CID 164946045

IUPAC3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESClc1ccc(C2CC(c3ccccc3Cl)=NN2c2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C25H18Cl2N4/c26-19-12-10-18(11-13-19)24-16-23(20-8-4-5-9-21(20)27)30-31(24)25-15-14-22(28-29-25)17-6-2-1-3-7-17/h1-15,24H,16H2
InChIKeySMZVKRNIPQBXQR-UHFFFAOYSA-N
MW445.35 g/mol
LogP6.81
Rot. Bonds4

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

3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (PubChem CID 164946045) has the molecular formula C25H18Cl2N4 and a molecular weight of 445.35 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
PubChem CID164946045
Molecular FormulaC25H18Cl2N4
Molecular Weight445.35 g/mol
Exact Mass444.09
IUPAC Name3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESClc1ccc(C2CC(c3ccccc3Cl)=NN2c2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C25H18Cl2N4/c26-19-12-10-18(11-13-19)24-16-23(20-8-4-5-9-21(20)27)30-31(24)25-15-14-22(28-29-25)17-6-2-1-3-7-17/h1-15,24H,16H2
InChIKeySMZVKRNIPQBXQR-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-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The IUPAC name of 3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (CID 164946045) is 3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is Clc1ccc(C2CC(c3ccccc3Cl)=NN2c2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The InChIKey is SMZVKRNIPQBXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4/c26-19-12-10-18(11-13-19)24-16-23(20-8-4-5-9-21(20)27)30-31(24)25-15-14-22(28-29-25)17-6-2-1-3-7-17/h1-15,24H,16H2.
What are the key properties of 3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
3-[5-(2-chlorophenyl)-3-(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-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is sourced from PubChem (CID 164946045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).