benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate

C19H17N3O3 — CID 87002296

IUPACbenzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1-n1cccn1)OCc1ccccc1
InChIInChI=1S/C19H17N3O3/c23-18(25-14-15-7-2-1-3-8-15)13-20-19(24)16-9-4-5-10-17(16)22-12-6-11-21-22/h1-12H,13-14H2,(H,20,24)
InChIKeyOHFCWHVXTCSIRI-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.35
Rot. Bonds6

About benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate

benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate (PubChem CID 87002296) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate
PubChem CID87002296
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Namebenzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1-n1cccn1)OCc1ccccc1
InChIInChI=1S/C19H17N3O3/c23-18(25-14-15-7-2-1-3-8-15)13-20-19(24)16-9-4-5-10-17(16)22-12-6-11-21-22/h1-12H,13-14H2,(H,20,24)
InChIKeyOHFCWHVXTCSIRI-UHFFFAOYSA-N
XLogP2.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16571120
N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide
CID 166323321
benzyl 2-methoxy-3-pyrazol-1-ylbenzoate
CID 138713680
benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate
CID 32982202
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate
CID 16579660
benzyl 2-benzamidoacetate;ethane
CID 142836612
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
CID 95787834
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
(4-pyrazol-1-ylphenyl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 16571062
benzyl 2-[[2-(2-oxo-1-pyridinyl)acetyl]amino]acetate
CID 51177215

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate?
The IUPAC name of benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate (CID 87002296) is benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate?
The canonical SMILES for benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1-n1cccn1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate?
The InChIKey is OHFCWHVXTCSIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(25-14-15-7-2-1-3-8-15)13-20-19(24)16-9-4-5-10-17(16)22-12-6-11-21-22/h1-12H,13-14H2,(H,20,24).
What are the key properties of benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate?
benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate has a molecular weight of 335.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate is sourced from PubChem (CID 87002296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).