ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate

C14H17N3O2 — CID 175563002

IUPACethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate
SMILESCCOC(=O)CC(N)c1cccc(-n2cccn2)c1
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)10-13(15)11-5-3-6-12(9-11)17-8-4-7-16-17/h3-9,13H,2,10,15H2,1H3
InChIKeyHSXSZFPPNQAVOC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.83
Rot. Bonds5

About ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate

ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate (PubChem CID 175563002) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate
PubChem CID175563002
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate
SMILESCCOC(=O)CC(N)c1cccc(-n2cccn2)c1
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)10-13(15)11-5-3-6-12(9-11)17-8-4-7-16-17/h3-9,13H,2,10,15H2,1H3
InChIKeyHSXSZFPPNQAVOC-UHFFFAOYSA-N
XLogP1.83
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-3-amino-3-(3-pyrazol-1-ylphenyl)propanoate
CID 140935403
ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
CID 686204
ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate
CID 171898140
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate
CID 137463417
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
ethyl 3-amino-3-(3-bromophenyl)propanoate;hydrochloride
CID 130177192
ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate
CID 140935476
ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
CID 171206155
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate?
The IUPAC name of ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate (CID 175563002) is ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate.
What is the SMILES notation for ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate?
The canonical SMILES for ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate is CCOC(=O)CC(N)c1cccc(-n2cccn2)c1.
What is the InChIKey of ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate?
The InChIKey is HSXSZFPPNQAVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-14(18)10-13(15)11-5-3-6-12(9-11)17-8-4-7-16-17/h3-9,13H,2,10,15H2,1H3.
What are the key properties of ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate?
ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate has a molecular weight of 259.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate is sourced from PubChem (CID 175563002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).