1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine

C20H18N4 — CID 6401162

IUPAC1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine
SMILESCc1ccc(-c2nnc(-n3nc(C)cc3C)c3ccccc23)cc1
InChIInChI=1S/C20H18N4/c1-13-8-10-16(11-9-13)19-17-6-4-5-7-18(17)20(22-21-19)24-15(3)12-14(2)23-24/h4-12H,1-3H3
InChIKeyVCJFLOUIZAJBAA-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.41
Rot. Bonds2

About 1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine

1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine (PubChem CID 6401162) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine
PubChem CID6401162
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine
SMILESCc1ccc(-c2nnc(-n3nc(C)cc3C)c3ccccc23)cc1
InChIInChI=1S/C20H18N4/c1-13-8-10-16(11-9-13)19-17-6-4-5-7-18(17)20(22-21-19)24-15(3)12-14(2)23-24/h4-12H,1-3H3
InChIKeyVCJFLOUIZAJBAA-UHFFFAOYSA-N
XLogP4.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine
CID 6418527
4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)phthalazin-1-amine
CID 22433405
4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine
CID 20959219
1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine
CID 22433550
1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine
CID 6403190
4-(3,5-dimethylpyrazol-1-yl)cinnoline
CID 63810532
3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate
CID 22090511
2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 3226598
11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 42639038
bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene
CID 12718144
2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol
CID 2854053
N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
CID 1386625

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine (CID 6401162) is 1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine is Cc1ccc(-c2nnc(-n3nc(C)cc3C)c3ccccc23)cc1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine?
The InChIKey is VCJFLOUIZAJBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-13-8-10-16(11-9-13)19-17-6-4-5-7-18(17)20(22-21-19)24-15(3)12-14(2)23-24/h4-12H,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine?
1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine has a molecular weight of 314.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine is sourced from PubChem (CID 6401162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).