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

C20H19N5O2 — CID 11639104

IUPAC2-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCOc1ccc(Cn2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1
InChIInChI=1S/C20H19N5O2/c1-13-11-18(23-22-13)21-19-16-5-3-4-6-17(16)20(26)25(24-19)12-14-7-9-15(27-2)10-8-14/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyQHRVQKRZPPKELL-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.23
Rot. Bonds5

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

2-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (PubChem CID 11639104) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
PubChem CID11639104
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCOc1ccc(Cn2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1
InChIInChI=1S/C20H19N5O2/c1-13-11-18(23-22-13)21-19-16-5-3-4-6-17(16)20(26)25(24-19)12-14-7-9-15(27-2)10-8-14/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyQHRVQKRZPPKELL-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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide
CID 5330975
N-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-methoxybenzamide
CID 23645981
N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide
CID 25223978
4-methoxy-N-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 819077
Indan-2-carboxylic acid [5-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-amide
CID 10892960
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-(3-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11617466
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
Way-361789
CID 24860582

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (CID 11639104) is 2-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is COc1ccc(Cn2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The InChIKey is QHRVQKRZPPKELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-11-18(23-22-13)21-19-16-5-3-4-6-17(16)20(26)25(24-19)12-14-7-9-15(27-2)10-8-14/h3-11H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
2-[(4-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-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is sourced from PubChem (CID 11639104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).