methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate

C23H25N3O4 — CID 134015732

IUPACmethyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
SMILESCOC(=O)CC(NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccc(OC)cc1
InChIInChI=1S/C23H25N3O4/c1-29-20-11-9-18(10-12-20)21(14-23(28)30-2)25-22(27)13-8-17-15-24-26(16-17)19-6-4-3-5-7-19/h3-7,9-12,15-16,21H,8,13-14H2,1-2H3,(H,25,27)
InChIKeyQCHHCXKCKFRWEV-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.23
Rot. Bonds9

About methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate

methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate (PubChem CID 134015732) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
PubChem CID134015732
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Namemethyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
SMILESCOC(=O)CC(NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccc(OC)cc1
InChIInChI=1S/C23H25N3O4/c1-29-20-11-9-18(10-12-20)21(14-23(28)30-2)25-22(27)13-8-17-15-24-26(16-17)19-6-4-3-5-7-19/h3-7,9-12,15-16,21H,8,13-14H2,1-2H3,(H,25,27)
InChIKeyQCHHCXKCKFRWEV-UHFFFAOYSA-N
XLogP3.23
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
CID 45436465
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 55449104
methyl 3-(2-chlorophenyl)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propanoate
CID 51336055
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 134015771
propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 18287238
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 42920757
3-methyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119212150
N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 120507987
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 27793538
N-[(1R)-1-(4-methoxyphenyl)propyl]-1-phenylpyrazole-4-carboxamide
CID 27853835
methyl 3-[4-(4-methoxyphenoxy)butanoylamino]-3-phenylpropanoate
CID 46637530

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate?
The IUPAC name of methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate (CID 134015732) is methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate is COC(=O)CC(NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate?
The InChIKey is QCHHCXKCKFRWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-29-20-11-9-18(10-12-20)21(14-23(28)30-2)25-22(27)13-8-17-15-24-26(16-17)19-6-4-3-5-7-19/h3-7,9-12,15-16,21H,8,13-14H2,1-2H3,(H,25,27).
What are the key properties of methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate?
methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate has a molecular weight of 407.47 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate is sourced from PubChem (CID 134015732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).