5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide

C20H21N5O3 — CID 133108835

IUPAC5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide
SMILESCOc1ccccc1C1CC(C(=O)NCc2n[nH]c(=O)c3ccccc23)NN1
InChIInChI=1S/C20H21N5O3/c1-28-18-9-5-4-8-14(18)15-10-16(23-22-15)20(27)21-11-17-12-6-2-3-7-13(12)19(26)25-24-17/h2-9,15-16,22-23H,10-11H2,1H3,(H,21,27)(H,25,26)
InChIKeyDBXZRTJMXQYNFD-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.16
Rot. Bonds5

About 5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide

5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide (PubChem CID 133108835) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide
PubChem CID133108835
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide
SMILESCOc1ccccc1C1CC(C(=O)NCc2n[nH]c(=O)c3ccccc23)NN1
InChIInChI=1S/C20H21N5O3/c1-28-18-9-5-4-8-14(18)15-10-16(23-22-15)20(27)21-11-17-12-6-2-3-7-13(12)19(26)25-24-17/h2-9,15-16,22-23H,10-11H2,1H3,(H,21,27)(H,25,26)
InChIKeyDBXZRTJMXQYNFD-UHFFFAOYSA-N
XLogP1.16
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 134127389
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
CID 7626487
N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
CID 6852112
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 78154777
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75255278
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
CID 7626515
N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605901
(2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide
CID 7626363
N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605721
5-(2-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazolidine-3-carboxamide
CID 78153904

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide (CID 133108835) is 5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide is COc1ccccc1C1CC(C(=O)NCc2n[nH]c(=O)c3ccccc23)NN1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is DBXZRTJMXQYNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-28-18-9-5-4-8-14(18)15-10-16(23-22-15)20(27)21-11-17-12-6-2-3-7-13(12)19(26)25-24-17/h2-9,15-16,22-23H,10-11H2,1H3,(H,21,27)(H,25,26).
What are the key properties of 5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide?
5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 133108835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).