N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide

C20H18N4O3 — CID 67966683

IUPACN-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide
SMILESCn1ccc(NC(=O)c2cc(OCc3ccccc3)c3c(c2)C(=O)NC3)n1
InChIInChI=1S/C20H18N4O3/c1-24-8-7-18(23-24)22-19(25)14-9-15-16(11-21-20(15)26)17(10-14)27-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyLQBYLLRGNLIPMW-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.49
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide

N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide (PubChem CID 67966683) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide
PubChem CID67966683
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide
SMILESCn1ccc(NC(=O)c2cc(OCc3ccccc3)c3c(c2)C(=O)NC3)n1
InChIInChI=1S/C20H18N4O3/c1-24-8-7-18(23-24)22-19(25)14-9-15-16(11-21-20(15)26)17(10-14)27-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyLQBYLLRGNLIPMW-UHFFFAOYSA-N
XLogP2.49
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-methoxyphenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305655
3-[2-(4-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305810
3-[2-(2,4-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67306982
3-[2-(2-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67307127
3-[(E)-2-(2-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540510
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540511
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540610
3-[(E)-2-(2,5-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540611
3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540612
3-[trans-2-(2-methoxyphenyl)vinyl]-5-(2-methoxy-(1S)-methyl-ethoxy)-N-(1-methyl-1H-pyrazol-3-yl)-benzamide
CID 71540614
3-[2-(3-aminophenyl)ethynyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 78319009
3-[2-(4-aminophenyl)ethynyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 78319067

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide (CID 67966683) is N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide is Cn1ccc(NC(=O)c2cc(OCc3ccccc3)c3c(c2)C(=O)NC3)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide?
The InChIKey is LQBYLLRGNLIPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-24-8-7-18(23-24)22-19(25)14-9-15-16(11-21-20(15)26)17(10-14)27-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,21,26)(H,22,23,25).
What are the key properties of N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide?
N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 67966683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).