N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine

C26H23N5 — CID 15946075

IUPACN-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine
SMILESCC(C)c1ccc(Nc2nnc(-c3ccc(-n4cccn4)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H23N5/c1-18(2)19-8-12-21(13-9-19)28-26-24-7-4-3-6-23(24)25(29-30-26)20-10-14-22(15-11-20)31-17-5-16-27-31/h3-18H,1-2H3,(H,28,30)
InChIKeyWNZYQFOWNABDRK-UHFFFAOYSA-N
MW405.51 g/mol
LogP6.35
Rot. Bonds5

About N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine

N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine (PubChem CID 15946075) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine
PubChem CID15946075
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC NameN-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine
SMILESCC(C)c1ccc(Nc2nnc(-c3ccc(-n4cccn4)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H23N5/c1-18(2)19-8-12-21(13-9-19)28-26-24-7-4-3-6-23(24)25(29-30-26)20-10-14-22(15-11-20)31-17-5-16-27-31/h3-18H,1-2H3,(H,28,30)
InChIKeyWNZYQFOWNABDRK-UHFFFAOYSA-N
XLogP6.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-propan-2-ylphenyl)phthalazin-1-yl]hydrazine
CID 14902232
N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
CID 1386625
1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole
CID 142384034
8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375257
4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide
CID 1388925
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyridin-2-amine
CID 133327058
methyl 2-[4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]phenoxy]acetate
CID 5292441
4-[[4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]phenyl]sulfanylmethyl]pyridine-2-carboxamide
CID 91180825
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine
CID 133327133
N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline
CID 43688218
N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide
CID 62999857
4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
CID 1417554

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine?
The IUPAC name of N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine (CID 15946075) is N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine is CC(C)c1ccc(Nc2nnc(-c3ccc(-n4cccn4)cc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine?
The InChIKey is WNZYQFOWNABDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-18(2)19-8-12-21(13-9-19)28-26-24-7-4-3-6-23(24)25(29-30-26)20-10-14-22(15-11-20)31-17-5-16-27-31/h3-18H,1-2H3,(H,28,30).
What are the key properties of N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine?
N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine has a molecular weight of 405.51 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-4-(4-pyrazol-1-ylphenyl)phthalazin-1-amine is sourced from PubChem (CID 15946075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).