ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate

C22H25N3O3 — CID 176910171

IUPACethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate
SMILESCCOC(=O)CC(N)c1cc(OCc2ccccc2)cc(-c2ccnn2C)c1
InChIInChI=1S/C22H25N3O3/c1-3-27-22(26)14-20(23)17-11-18(21-9-10-24-25(21)2)13-19(12-17)28-15-16-7-5-4-6-8-16/h4-13,20H,3,14-15,23H2,1-2H3
InChIKeyRVVDQMNDTCNVJN-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.62
Rot. Bonds8

About ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate

ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate (PubChem CID 176910171) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate
PubChem CID176910171
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Nameethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate
SMILESCCOC(=O)CC(N)c1cc(OCc2ccccc2)cc(-c2ccnn2C)c1
InChIInChI=1S/C22H25N3O3/c1-3-27-22(26)14-20(23)17-11-18(21-9-10-24-25(21)2)13-19(12-17)28-15-16-7-5-4-6-8-16/h4-13,20H,3,14-15,23H2,1-2H3
InChIKeyRVVDQMNDTCNVJN-UHFFFAOYSA-N
XLogP3.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3S)-3-amino-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171230805
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
CID 175709836
ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate
CID 175005569
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(2-methylpyrazol-3-yl)-4-phenylmethoxyphenyl]propanoate
CID 176910136
ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
CID 171213027
tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate
CID 78058335
[(1S)-3-ethoxy-3-oxo-1-(3-phenylmethoxyphenyl)propyl]azanium
CID 7046970
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311
ethyl (3S)-3-amino-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate
CID 140935488
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
CID 29059678
1-methyl-5-[2-nitro-4,5-bis(phenylmethoxy)phenyl]pyrazole
CID 162504727

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate?
The IUPAC name of ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate (CID 176910171) is ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate.
What is the SMILES notation for ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate?
The canonical SMILES for ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate is CCOC(=O)CC(N)c1cc(OCc2ccccc2)cc(-c2ccnn2C)c1.
What is the InChIKey of ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate?
The InChIKey is RVVDQMNDTCNVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-27-22(26)14-20(23)17-11-18(21-9-10-24-25(21)2)13-19(12-17)28-15-16-7-5-4-6-8-16/h4-13,20H,3,14-15,23H2,1-2H3.
What are the key properties of ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate?
ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate has a molecular weight of 379.46 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate is sourced from PubChem (CID 176910171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).