ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate

C10H17N3O2 — CID 61498518

IUPACethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1ccn[nH]1
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)8(3)12-7(2)9-5-6-11-13-9/h5-8,12H,4H2,1-3H3,(H,11,13)
InChIKeyMZJDYBGMZQSQRI-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.01
Rot. Bonds5

About ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate

ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate (PubChem CID 61498518) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate
PubChem CID61498518
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1ccn[nH]1
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)8(3)12-7(2)9-5-6-11-13-9/h5-8,12H,4H2,1-3H3,(H,11,13)
InChIKeyMZJDYBGMZQSQRI-UHFFFAOYSA-N
XLogP1.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1H-pyrazol-5-yl)butanoate
CID 176656785
N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine
CID 60972648
(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol
CID 79253582
N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide
CID 54881769
N-propyl-2-[1-(1H-pyrazol-5-yl)ethylamino]acetamide
CID 60973020
N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 60973145
ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate
CID 54960329
ethyl 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoate
CID 81370863
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide
CID 60971929
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281607
ethyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanoate
CID 107706335

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate?
The IUPAC name of ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate (CID 61498518) is ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate is CCOC(=O)C(C)NC(C)c1ccn[nH]1.
What is the InChIKey of ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate?
The InChIKey is MZJDYBGMZQSQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-10(14)8(3)12-7(2)9-5-6-11-13-9/h5-8,12H,4H2,1-3H3,(H,11,13).
What are the key properties of ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate?
ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate has a molecular weight of 211.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate is sourced from PubChem (CID 61498518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).