4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine

C20H18FN5 — CID 20959219

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine
SMILESCc1cc(C)n(-c2nnc(Nc3ccc(F)cc3C)c3ccccc23)n1
InChIInChI=1S/C20H18FN5/c1-12-10-15(21)8-9-18(12)22-19-16-6-4-5-7-17(16)20(24-23-19)26-14(3)11-13(2)25-26/h4-11H,1-3H3,(H,22,23)
InChIKeyBSTCGEDMSDVOLV-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.62
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine

4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine (PubChem CID 20959219) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine
PubChem CID20959219
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine
SMILESCc1cc(C)n(-c2nnc(Nc3ccc(F)cc3C)c3ccccc23)n1
InChIInChI=1S/C20H18FN5/c1-12-10-15(21)8-9-18(12)22-19-16-6-4-5-7-17(16)20(24-23-19)26-14(3)11-13(2)25-26/h4-11H,1-3H3,(H,22,23)
InChIKeyBSTCGEDMSDVOLV-UHFFFAOYSA-N
XLogP4.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.62
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-(4-fluoro-2-methylphenyl)phthalazin-1-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine (CID 20959219) is 4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine is Cc1cc(C)n(-c2nnc(Nc3ccc(F)cc3C)c3ccccc23)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine?
The InChIKey is BSTCGEDMSDVOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c1-12-10-15(21)8-9-18(12)22-19-16-6-4-5-7-17(16)20(24-23-19)26-14(3)11-13(2)25-26/h4-11H,1-3H3,(H,22,23).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine?
4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)phthalazin-1-amine has a molecular weight of 347.40 g/mol, XLogP of 4.62, 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-(4-fluoro-2-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 20959219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).