methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate

C16H19N3O5 — CID 136570895

IUPACmethyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)COCc2ccc(OC)cc2)n(C)n1
InChIInChI=1S/C16H19N3O5/c1-19-14(8-13(18-19)16(21)23-3)17-15(20)10-24-9-11-4-6-12(22-2)7-5-11/h4-8H,9-10H2,1-3H3,(H,17,20)
InChIKeyPFXHOZQEQOUORF-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.37
Rot. Bonds7

About methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate

methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate (PubChem CID 136570895) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate
PubChem CID136570895
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Namemethyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)COCc2ccc(OC)cc2)n(C)n1
InChIInChI=1S/C16H19N3O5/c1-19-14(8-13(18-19)16(21)23-3)17-15(20)10-24-9-11-4-6-12(22-2)7-5-11/h4-8H,9-10H2,1-3H3,(H,17,20)
InChIKeyPFXHOZQEQOUORF-UHFFFAOYSA-N
XLogP1.37
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(2-phenylmethoxyacetyl)amino]naphthalene-2-carboxylate
CID 55784858
N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999191
3-O-benzyl 5-O-methyl 1-methylpyrazole-3,5-dicarboxylate
CID 10956696
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 55845969
methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate
CID 136571709
methyl 1-benzyl-5-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
CID 145427559
2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 2811788
methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate
CID 139404388
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 7699065
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55936393
3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole
CID 135124741
methyl 1-methyl-5-(methylsulfinyloxymethyl)pyrazole-3-carboxylate
CID 135217538

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate (CID 136570895) is methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate is COC(=O)c1cc(NC(=O)COCc2ccc(OC)cc2)n(C)n1.
What is the InChIKey of methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate?
The InChIKey is PFXHOZQEQOUORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-19-14(8-13(18-19)16(21)23-3)17-15(20)10-24-9-11-4-6-12(22-2)7-5-11/h4-8H,9-10H2,1-3H3,(H,17,20).
What are the key properties of methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate?
methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 136570895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).