benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate

C20H19N3O3 — CID 29209753

IUPACbenzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate
SMILESCc1ccnn1-c1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C20H19N3O3/c1-15-11-12-22-23(15)18-9-7-17(8-10-18)20(25)21-13-19(24)26-14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,25)
InChIKeyXEMAYVYOWFTSDH-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.65
Rot. Bonds6

About benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate

benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate (PubChem CID 29209753) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate
PubChem CID29209753
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namebenzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate
SMILESCc1ccnn1-c1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C20H19N3O3/c1-15-11-12-22-23(15)18-9-7-17(8-10-18)20(25)21-13-19(24)26-14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,25)
InChIKeyXEMAYVYOWFTSDH-UHFFFAOYSA-N
XLogP2.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 142836612
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N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
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4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708042
benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
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benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate
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benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate
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4-(5-methylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
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benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 30581064

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate?
The IUPAC name of benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate (CID 29209753) is benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate?
The canonical SMILES for benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate is Cc1ccnn1-c1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate?
The InChIKey is XEMAYVYOWFTSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-15-11-12-22-23(15)18-9-7-17(8-10-18)20(25)21-13-19(24)26-14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,25).
What are the key properties of benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate?
benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate has a molecular weight of 349.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate is sourced from PubChem (CID 29209753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).