methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate

C10H17N3O2 — CID 43726146

IUPACmethyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)NCc1cn[nH]c1C
InChIInChI=1S/C10H17N3O2/c1-7-8(6-12-13-7)5-11-10(2,3)9(14)15-4/h6,11H,5H2,1-4H3,(H,12,13)
InChIKeyDZKZRKZKVYSDCJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.76
Rot. Bonds4

About methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate

methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate (PubChem CID 43726146) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
PubChem CID43726146
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)NCc1cn[nH]c1C
InChIInChI=1S/C10H17N3O2/c1-7-8(6-12-13-7)5-11-10(2,3)9(14)15-4/h6,11H,5H2,1-4H3,(H,12,13)
InChIKeyDZKZRKZKVYSDCJ-UHFFFAOYSA-N
XLogP0.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 86808840
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61068856
2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 66442457
N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66442659
2-(2,2-difluoroethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103081054
2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 60767361
methyl (2S)-3,3-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylamino]butanoate
CID 67100534
[1-[(5-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl] 2,2-dimethylpropanoate
CID 134287774
ethane;N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 172383458
4,5-dimethyl-1H-pyrazole;ethyl acetate
CID 175558377
methyl 2-(1H-pyrazol-5-ylmethylamino)acetate
CID 43662239
methyl (2S)-3-methyl-2-(1H-pyrazol-5-ylmethylamino)butanoate
CID 43662565

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate (CID 43726146) is methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate is COC(=O)C(C)(C)NCc1cn[nH]c1C.
What is the InChIKey of methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate?
The InChIKey is DZKZRKZKVYSDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-8(6-12-13-7)5-11-10(2,3)9(14)15-4/h6,11H,5H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate?
methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate is sourced from PubChem (CID 43726146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).