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

C19H17N5O2 — CID 11537541

IUPAC2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCOc1ccc(-n2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1
InChIInChI=1S/C19H17N5O2/c1-12-11-17(22-21-12)20-18-15-5-3-4-6-16(15)19(25)24(23-18)13-7-9-14(26-2)10-8-13/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyFONGCKPDTLVYQA-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.17
Rot. Bonds4

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

2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (PubChem CID 11537541) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
PubChem CID11537541
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCOc1ccc(-n2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1
InChIInChI=1S/C19H17N5O2/c1-12-11-17(22-21-12)20-18-15-5-3-4-6-16(15)19(25)24(23-18)13-7-9-14(26-2)10-8-13/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyFONGCKPDTLVYQA-UHFFFAOYSA-N
XLogP3.17
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (CID 11537541) is 2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is COc1ccc(-n2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The InChIKey is FONGCKPDTLVYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-11-17(22-21-12)20-18-15-5-3-4-6-16(15)19(25)24(23-18)13-7-9-14(26-2)10-8-13/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one has a molecular weight of 347.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is sourced from PubChem (CID 11537541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).