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

C25H19ClN4 — CID 127028763

IUPAC3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESClc1ccc(C2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C25H19ClN4/c26-21-13-11-20(12-14-21)24-17-23(19-9-5-2-6-10-19)29-30(24)25-16-15-22(27-28-25)18-7-3-1-4-8-18/h1-16,24H,17H2
InChIKeyQCBKZLGVOWDCFS-UHFFFAOYSA-N
MW410.91 g/mol
LogP6.15
Rot. Bonds4

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

3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (PubChem CID 127028763) has the molecular formula C25H19ClN4 and a molecular weight of 410.91 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
PubChem CID127028763
Molecular FormulaC25H19ClN4
Molecular Weight410.91 g/mol
Exact Mass410.13
IUPAC Name3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESClc1ccc(C2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C25H19ClN4/c26-21-13-11-20(12-14-21)24-17-23(19-9-5-2-6-10-19)29-30(24)25-16-15-22(27-28-25)18-7-3-1-4-8-18/h1-16,24H,17H2
InChIKeyQCBKZLGVOWDCFS-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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Related Compounds

3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 164946045
3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 127028777
3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine
CID 127029073
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 164946027
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7392937
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
3-(4-bromophenyl)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 46502754
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine
CID 92844911
5-(4-chlorophenyl)-2-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole
CID 3770049

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The IUPAC name of 3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (CID 127028763) is 3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is Clc1ccc(C2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The InChIKey is QCBKZLGVOWDCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4/c26-21-13-11-20(12-14-21)24-17-23(19-9-5-2-6-10-19)29-30(24)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-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
3-[3-(4-chlorophenyl)-5-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-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is sourced from PubChem (CID 127028763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).