[4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate

C27H25N3O4 — CID 35620752

IUPAC[4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C27H25N3O4/c1-18-24(19(2)30(29-18)21-9-5-4-6-10-21)17-26(31)34-22-15-13-20(14-16-22)28-27(32)23-11-7-8-12-25(23)33-3/h4-16H,17H2,1-3H3,(H,28,32)
InChIKeyGOAZDKZIEJPDQH-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.90
Rot. Bonds7

About [4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate

[4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate (PubChem CID 35620752) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is [4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name[4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
PubChem CID35620752
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name[4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C27H25N3O4/c1-18-24(19(2)30(29-18)21-9-5-4-6-10-21)17-26(31)34-22-15-13-20(14-16-22)28-27(32)23-11-7-8-12-25(23)33-3/h4-16H,17H2,1-3H3,(H,28,32)
InChIKeyGOAZDKZIEJPDQH-UHFFFAOYSA-N
XLogP4.90
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9478159
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 34050863
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate
CID 16605535
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
N-[4-(N-ethylanilino)phenyl]-2-methoxybenzamide
CID 112986547
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
[4-[(2-methoxybenzoyl)amino]phenyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 26646011
(4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 51868857
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,4,5-trimethoxybenzamide
CID 51275514
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721
3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 131908651

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
The IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate (CID 35620752) is [4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for [4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for [4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate is COc1ccccc1C(=O)Nc1ccc(OC(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of [4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
The InChIKey is GOAZDKZIEJPDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-18-24(19(2)30(29-18)21-9-5-4-6-10-21)17-26(31)34-22-15-13-20(14-16-22)28-27(32)23-11-7-8-12-25(23)33-3/h4-16H,17H2,1-3H3,(H,28,32).
What are the key properties of [4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate has a molecular weight of 455.51 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 35620752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).