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

C20H19N5O2 — CID 11617466

IUPAC2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCOc1cccc(Cn2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)c1
InChIInChI=1S/C20H19N5O2/c1-13-10-18(23-22-13)21-19-16-8-3-4-9-17(16)20(26)25(24-19)12-14-6-5-7-15(11-14)27-2/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyJZXZMZSAVCZTFQ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.23
Rot. Bonds5

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

2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (PubChem CID 11617466) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
PubChem CID11617466
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCOc1cccc(Cn2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)c1
InChIInChI=1S/C20H19N5O2/c1-13-10-18(23-22-13)21-19-16-8-3-4-9-17(16)20(26)25(24-19)12-14-6-5-7-15(11-14)27-2/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyJZXZMZSAVCZTFQ-UHFFFAOYSA-N
XLogP3.23
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
4-methoxy-N-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 819077
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
2-[2-(4-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 11501979
2-(4-Methoxyphenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11537541
2-(4-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 11639104
4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)-2-propan-2-ylphthalazin-1-one
CID 11668744
2-[2-(3-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 21106464
2-isopropyl-7-(2-methoxyethoxy)-4-(5-methyl-1H-pyrazol-3-ylamino)phthalazin-1(2H)-one
CID 24753585
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173801

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (CID 11617466) is 2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is COc1cccc(Cn2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The InChIKey is JZXZMZSAVCZTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-10-18(23-22-13)21-19-16-8-3-4-9-17(16)20(26)25(24-19)12-14-6-5-7-15(11-14)27-2/h3-11H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one has a molecular weight of 361.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is sourced from PubChem (CID 11617466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).