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

C25H19ClN4 — CID 127029074

IUPAC3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESClc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C25H19ClN4/c26-21-13-11-19(12-14-21)23-17-24(20-9-5-2-6-10-20)30(29-23)25-16-15-22(27-28-25)18-7-3-1-4-8-18/h1-16,24H,17H2
InChIKeyKNLHUHNSQPUSBA-UHFFFAOYSA-N
MW410.91 g/mol
LogP6.15
Rot. Bonds4

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

3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (PubChem CID 127029074) has the molecular formula C25H19ClN4 and a molecular weight of 410.91 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
PubChem CID127029074
Molecular FormulaC25H19ClN4
Molecular Weight410.91 g/mol
Exact Mass410.13
IUPAC Name3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESClc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C25H19ClN4/c26-21-13-11-19(12-14-21)23-17-24(20-9-5-2-6-10-20)30(29-23)25-16-15-22(27-28-25)18-7-3-1-4-8-18/h1-16,24H,17H2
InChIKeyKNLHUHNSQPUSBA-UHFFFAOYSA-N
XLogP6.15
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.91
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The IUPAC name of 3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (CID 127029074) is 3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is Clc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The InChIKey is KNLHUHNSQPUSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4/c26-21-13-11-19(12-14-21)23-17-24(20-9-5-2-6-10-20)30(29-23)25-16-15-22(27-28-25)18-7-3-1-4-8-18/h1-16,24H,17H2.
What are the key properties of 3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine has a molecular weight of 410.91 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is sourced from PubChem (CID 127029074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).