[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate

C23H25N3O4 — CID 7840332

IUPAC[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
SMILESCc1cccc(OCCC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C23H25N3O4/c1-16-8-7-11-20(14-16)29-13-12-22(28)30-15-21(27)24-23-17(2)25-26(18(23)3)19-9-5-4-6-10-19/h4-11,14H,12-13,15H2,1-3H3,(H,24,27)
InChIKeySLAXGXDPTUXQEH-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.75
Rot. Bonds8

About [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate (PubChem CID 7840332) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
PubChem CID7840332
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
SMILESCc1cccc(OCCC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C23H25N3O4/c1-16-8-7-11-20(14-16)29-13-12-22(28)30-15-21(27)24-23-17(2)25-26(18(23)3)19-9-5-4-6-10-19/h4-11,14H,12-13,15H2,1-3H3,(H,24,27)
InChIKeySLAXGXDPTUXQEH-UHFFFAOYSA-N
XLogP3.75
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609729
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
CID 658913
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792771
N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-(2-naphthyloxy)acetamide
CID 1300497
ethyl (3,5-dimethyl-4-{[(3-methyl-4-nitrophenoxy)acetyl]amino}-1H-pyrazol-1-yl)acetate
CID 1507006
[2-(3-Methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 2667677
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 6213468
[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 6219814
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853842
2-(2-bromo-4-methylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9533805
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 16544092
2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18122041

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate (CID 7840332) is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate.
What is the SMILES notation for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The canonical SMILES for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate is Cc1cccc(OCCC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The InChIKey is SLAXGXDPTUXQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-8-7-11-20(14-16)29-13-12-22(28)30-15-21(27)24-23-17(2)25-26(18(23)3)19-9-5-4-6-10-19/h4-11,14H,12-13,15H2,1-3H3,(H,24,27).
What are the key properties of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate has a molecular weight of 407.47 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate is sourced from PubChem (CID 7840332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).