3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine

C19H19N5 — CID 137046649

IUPAC3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine
SMILESCc1cccc(N2Cc3ccccc3/C(=N/c3cc(C)[nH]n3)N2)c1
InChIInChI=1S/C19H19N5/c1-13-6-5-8-16(10-13)24-12-15-7-3-4-9-17(15)19(23-24)20-18-11-14(2)21-22-18/h3-11H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyZCVYOBPNSPBVKI-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.63
Rot. Bonds2

About 3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine

3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine (PubChem CID 137046649) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine
PubChem CID137046649
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine
SMILESCc1cccc(N2Cc3ccccc3/C(=N/c3cc(C)[nH]n3)N2)c1
InChIInChI=1S/C19H19N5/c1-13-6-5-8-16(10-13)24-12-15-7-3-4-9-17(15)19(23-24)20-18-11-14(2)21-22-18/h3-11H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyZCVYOBPNSPBVKI-UHFFFAOYSA-N
XLogP3.63
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine?
The IUPAC name of 3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine (CID 137046649) is 3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine.
What is the SMILES notation for 3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine?
The canonical SMILES for 3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine is Cc1cccc(N2Cc3ccccc3/C(=N/c3cc(C)[nH]n3)N2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine?
The InChIKey is ZCVYOBPNSPBVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-6-5-8-16(10-13)24-12-15-7-3-4-9-17(15)19(23-24)20-18-11-14(2)21-22-18/h3-11H,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine?
3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine has a molecular weight of 317.40 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine is sourced from PubChem (CID 137046649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).