4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine

C20H19N5 — CID 15990118

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine
SMILESCc1cccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)c1
InChIInChI=1S/C20H19N5/c1-13-7-6-8-16(11-13)21-19-17-9-4-5-10-18(17)20(23-22-19)25-15(3)12-14(2)24-25/h4-12H,1-3H3,(H,21,22)
InChIKeyPSBKCMRMEIDBNW-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.48
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine

4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine (PubChem CID 15990118) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine
PubChem CID15990118
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine
SMILESCc1cccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)c1
InChIInChI=1S/C20H19N5/c1-13-7-6-8-16(11-13)21-19-17-9-4-5-10-18(17)20(23-22-19)25-15(3)12-14(2)24-25/h4-12H,1-3H3,(H,21,22)
InChIKeyPSBKCMRMEIDBNW-UHFFFAOYSA-N
XLogP4.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine (CID 15990118) is 4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine is Cc1cccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)c1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine?
The InChIKey is PSBKCMRMEIDBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-13-7-6-8-16(11-13)21-19-17-9-4-5-10-18(17)20(23-22-19)25-15(3)12-14(2)24-25/h4-12H,1-3H3,(H,21,22).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine?
4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine has a molecular weight of 329.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 15990118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).