methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate

C10H17N3O2 — CID 60780721

IUPACmethyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1c(C)n[nH]c1C
InChIInChI=1S/C10H17N3O2/c1-6-9(7(2)13-12-6)5-11-8(3)10(14)15-4/h8,11H,5H2,1-4H3,(H,12,13)
InChIKeyBNLFKGPCFMOVNW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.68
Rot. Bonds4

About methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate

methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate (PubChem CID 60780721) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate
PubChem CID60780721
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1c(C)n[nH]c1C
InChIInChI=1S/C10H17N3O2/c1-6-9(7(2)13-12-6)5-11-8(3)10(14)15-4/h8,11H,5H2,1-4H3,(H,12,13)
InChIKeyBNLFKGPCFMOVNW-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxypropanamide
CID 124568629
2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]acetic acid
CID 91119931
(2S)-2-[bis[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanoic acid
CID 91420692
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55151329
methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 64975197
ethyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 64975198
2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103081053
methyl 2-(3,4,5-trimethyl-1H-pyrazol-2-ium-2-yl)acetate
CID 144982225
2-(3,4,5-trimethyl-1H-pyrazol-2-ium-2-yl)acetic acid
CID 144982323
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,2-dimethylpropanamide
CID 169875496
Methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
CID 28611484
Methyl 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanoate
CID 43383218

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate?
The IUPAC name of methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate (CID 60780721) is methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate is COC(=O)C(C)NCc1c(C)n[nH]c1C.
What is the InChIKey of methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate?
The InChIKey is BNLFKGPCFMOVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6-9(7(2)13-12-6)5-11-8(3)10(14)15-4/h8,11H,5H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate?
methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate is sourced from PubChem (CID 60780721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).