(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate

C21H21N3O4 — CID 16571120

IUPAC(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H21N3O4/c1-2-27-19-7-4-3-6-18(19)21(26)22-14-20(25)28-15-16-8-10-17(11-9-16)24-13-5-12-23-24/h3-13H,2,14-15H2,1H3,(H,22,26)
InChIKeyVJASKZZRNCPQED-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.74
Rot. Bonds8

About (4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate

(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 16571120) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID16571120
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H21N3O4/c1-2-27-19-7-4-3-6-18(19)21(26)22-14-20(25)28-15-16-8-10-17(11-9-16)24-13-5-12-23-24/h3-13H,2,14-15H2,1H3,(H,22,26)
InChIKeyVJASKZZRNCPQED-UHFFFAOYSA-N
XLogP2.74
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate
CID 87002296
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
(4-pyrazol-1-ylphenyl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 16571062
(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662119
(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807817
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
(2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4787088
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 34415892
[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807869
ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate
CID 56528108
(1,3-dioxoisoindol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807779

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 16571120) is (4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCc1ccc(-n2cccn2)cc1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is VJASKZZRNCPQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-2-27-19-7-4-3-6-18(19)21(26)22-14-20(25)28-15-16-8-10-17(11-9-16)24-13-5-12-23-24/h3-13H,2,14-15H2,1H3,(H,22,26).
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 379.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 16571120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).