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

C23H25N3O4 — CID 9194009

IUPACethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate
SMILESCCOC(=O)[C@H](NC(=O)c1cccc(OC)c1)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C23H25N3O4/c1-5-30-23(28)21(24-22(27)17-10-9-13-19(14-17)29-4)20-15(2)25-26(16(20)3)18-11-7-6-8-12-18/h6-14,21H,5H2,1-4H3,(H,24,27)/t21-/m1/s1
InChIKeyUHAJDYXMCCYWIG-OAQYLSRUSA-N
MW407.47 g/mol
LogP3.53
Rot. Bonds7

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

ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 9194009) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate
PubChem CID9194009
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Nameethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate
SMILESCCOC(=O)[C@H](NC(=O)c1cccc(OC)c1)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C23H25N3O4/c1-5-30-23(28)21(24-22(27)17-10-9-13-19(14-17)29-4)20-15(2)25-26(16(20)3)18-11-7-6-8-12-18/h6-14,21H,5H2,1-4H3,(H,24,27)/t21-/m1/s1
InChIKeyUHAJDYXMCCYWIG-OAQYLSRUSA-N
XLogP3.53
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2R)-2-[(3-bromofuran-2-carbonyl)amino]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 100640859
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CID 100665432
ethyl (2R)-2-[(4-cyanobenzoyl)amino]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 25486704
ethyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate
CID 62085446
ethyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,3-dihydroxypropanoate
CID 171867474
ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(2R,4R)-2-ethyloxane-4-carbonyl]amino]acetate
CID 100680123
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
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3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19462831
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate (CID 9194009) is ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate is CCOC(=O)[C@H](NC(=O)c1cccc(OC)c1)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is UHAJDYXMCCYWIG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-5-30-23(28)21(24-22(27)17-10-9-13-19(14-17)29-4)20-15(2)25-26(16(20)3)18-11-7-6-8-12-18/h6-14,21H,5H2,1-4H3,(H,24,27)/t21-/m1/s1.
What are the key properties of ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate?
ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 407.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 9194009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).