ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate

C16H21N3O2 — CID 170885621

IUPACethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate
SMILESCCOC(=O)C(N)Cc1[nH]ncc1-c1ccc(CC)cc1
InChIInChI=1S/C16H21N3O2/c1-3-11-5-7-12(8-6-11)13-10-18-19-15(13)9-14(17)16(20)21-4-2/h5-8,10,14H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyLAIBZJSVADGBLB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.07
Rot. Bonds6

About ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate

ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate (PubChem CID 170885621) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate
PubChem CID170885621
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate
SMILESCCOC(=O)C(N)Cc1[nH]ncc1-c1ccc(CC)cc1
InChIInChI=1S/C16H21N3O2/c1-3-11-5-7-12(8-6-11)13-10-18-19-15(13)9-14(17)16(20)21-4-2/h5-8,10,14H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyLAIBZJSVADGBLB-UHFFFAOYSA-N
XLogP2.07
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 105423638
4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol
CID 105423241
ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate
CID 68817802
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate
CID 94905304
ethyl 2-amino-3-[4-(4-butylphenyl)phenyl]propanoate
CID 170885040
ethyl 4-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 44515223
3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylpropanoic acid
CID 105423684
ethyl 2-amino-3-(5-tert-butyl-1H-pyrazol-4-yl)propanoate
CID 170886041
ethyl 2-amino-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoate
CID 170885356
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate?
The IUPAC name of ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate (CID 170885621) is ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate is CCOC(=O)C(N)Cc1[nH]ncc1-c1ccc(CC)cc1.
What is the InChIKey of ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate?
The InChIKey is LAIBZJSVADGBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-11-5-7-12(8-6-11)13-10-18-19-15(13)9-14(17)16(20)21-4-2/h5-8,10,14H,3-4,9,17H2,1-2H3,(H,18,19).
What are the key properties of ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate?
ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate has a molecular weight of 287.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate is sourced from PubChem (CID 170885621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).