N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

C21H20N4O3 — CID 155917888

IUPACN-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCOCc1[nH]nc(NC(=O)CC2NC(=O)c3ccccc32)c1-c1ccccc1
InChIInChI=1S/C21H20N4O3/c1-28-12-17-19(13-7-3-2-4-8-13)20(25-24-17)23-18(26)11-16-14-9-5-6-10-15(14)21(27)22-16/h2-10,16H,11-12H2,1H3,(H,22,27)(H2,23,24,25,26)
InChIKeyGIHKAQLBVFWFGC-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.04
Rot. Bonds6

About N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 155917888) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID155917888
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCOCc1[nH]nc(NC(=O)CC2NC(=O)c3ccccc32)c1-c1ccccc1
InChIInChI=1S/C21H20N4O3/c1-28-12-17-19(13-7-3-2-4-8-13)20(25-24-17)23-18(26)11-16-14-9-5-6-10-15(14)21(27)22-16/h2-10,16H,11-12H2,1H3,(H,22,27)(H2,23,24,25,26)
InChIKeyGIHKAQLBVFWFGC-UHFFFAOYSA-N
XLogP3.04
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 71705159
formic acid;N-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 163338159
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
CID 96557176
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 155916871
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 71705684
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(2-oxo-1H-pyridin-4-yl)acetamide
CID 157016749
N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 157013712
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
2-[3,5-dimethyl-4-[[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]amino]pyrazol-1-yl]acetic acid
CID 46988724
N-[(2,6-dimethoxyphenyl)methyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126376
3-phenacyl-2,3-dihydroisoindol-1-one
CID 10857928
N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 131898238

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 155917888) is N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is COCc1[nH]nc(NC(=O)CC2NC(=O)c3ccccc32)c1-c1ccccc1.
What is the InChIKey of N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is GIHKAQLBVFWFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-28-12-17-19(13-7-3-2-4-8-13)20(25-24-17)23-18(26)11-16-14-9-5-6-10-15(14)21(27)22-16/h2-10,16H,11-12H2,1H3,(H,22,27)(H2,23,24,25,26).
What are the key properties of N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 155917888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).