N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide

C20H20N4O3 — CID 126462403

IUPACN-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCOc1ccccc1CNC(=O)Cn1cc(NC(=O)c2ccccc2)cn1
InChIInChI=1S/C20H20N4O3/c1-27-18-10-6-5-9-16(18)11-21-19(25)14-24-13-17(12-22-24)23-20(26)15-7-3-2-4-8-15/h2-10,12-13H,11,14H2,1H3,(H,21,25)(H,23,26)
InChIKeyQWNZEEGRNIIKBY-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.46
Rot. Bonds7

About N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide

N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide (PubChem CID 126462403) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
PubChem CID126462403
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCOc1ccccc1CNC(=O)Cn1cc(NC(=O)c2ccccc2)cn1
InChIInChI=1S/C20H20N4O3/c1-27-18-10-6-5-9-16(18)11-21-19(25)14-24-13-17(12-22-24)23-20(26)15-7-3-2-4-8-15/h2-10,12-13H,11,14H2,1H3,(H,21,25)(H,23,26)
InChIKeyQWNZEEGRNIIKBY-UHFFFAOYSA-N
XLogP2.46
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
CID 125164163
1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 27451050
N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide
CID 110838952
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 138002030
N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 9246368
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 19625854
N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide
CID 42162905
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 86848803
4-benzamido-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 55534844
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide (CID 126462403) is N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide is COc1ccccc1CNC(=O)Cn1cc(NC(=O)c2ccccc2)cn1.
What is the InChIKey of N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide?
The InChIKey is QWNZEEGRNIIKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-18-10-6-5-9-16(18)11-21-19(25)14-24-13-17(12-22-24)23-20(26)15-7-3-2-4-8-15/h2-10,12-13H,11,14H2,1H3,(H,21,25)(H,23,26).
What are the key properties of N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide?
N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 126462403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).