tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate

C14H25N3O2 — CID 83226023

IUPACtert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate
SMILESCCc1cc(CC(N)C(=O)OC(C)(C)C)n(CC)n1
InChIInChI=1S/C14H25N3O2/c1-6-10-8-11(17(7-2)16-10)9-12(15)13(18)19-14(3,4)5/h8,12H,6-7,9,15H2,1-5H3
InChIKeyXETQBCQUVVJLLU-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.68
Rot. Bonds5

About tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate

tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate (PubChem CID 83226023) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate
PubChem CID83226023
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nametert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate
SMILESCCc1cc(CC(N)C(=O)OC(C)(C)C)n(CC)n1
InChIInChI=1S/C14H25N3O2/c1-6-10-8-11(17(7-2)16-10)9-12(15)13(18)19-14(3,4)5/h8,12H,6-7,9,15H2,1-5H3
InChIKeyXETQBCQUVVJLLU-UHFFFAOYSA-N
XLogP1.68
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
3-amino-2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899899
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
CID 112575301
[1-(1,3-diethylpyrazol-5-yl)-3-methylpentan-2-yl]hydrazine
CID 105219741
1-(1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-one
CID 79617483
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
CID 79450356
1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475043
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
tert-butyl 2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoate
CID 83226584

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate?
The IUPAC name of tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate (CID 83226023) is tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate.
What is the SMILES notation for tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate?
The canonical SMILES for tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate is CCc1cc(CC(N)C(=O)OC(C)(C)C)n(CC)n1.
What is the InChIKey of tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate?
The InChIKey is XETQBCQUVVJLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-10-8-11(17(7-2)16-10)9-12(15)13(18)19-14(3,4)5/h8,12H,6-7,9,15H2,1-5H3.
What are the key properties of tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate?
tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate has a molecular weight of 267.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate is sourced from PubChem (CID 83226023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).