2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one

C18H14FN5O — CID 11624169

IUPAC2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCc1cc(Nc2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C18H14FN5O/c1-11-10-16(22-21-11)20-17-14-4-2-3-5-15(14)18(25)24(23-17)13-8-6-12(19)7-9-13/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyBMWVNQUIZMDGSJ-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.30
Rot. Bonds3

About 2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one

2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (PubChem CID 11624169) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
PubChem CID11624169
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCc1cc(Nc2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C18H14FN5O/c1-11-10-16(22-21-11)20-17-14-4-2-3-5-15(14)18(25)24(23-17)13-8-6-12(19)7-9-13/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyBMWVNQUIZMDGSJ-UHFFFAOYSA-N
XLogP3.30
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The IUPAC name of 2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (CID 11624169) is 2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is Cc1cc(Nc2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)n[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The InChIKey is BMWVNQUIZMDGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-11-10-16(22-21-11)20-17-14-4-2-3-5-15(14)18(25)24(23-17)13-8-6-12(19)7-9-13/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one has a molecular weight of 335.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is sourced from PubChem (CID 11624169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).