methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate

C8H13N3O2 — CID 66174339

IUPACmethyl 2-[(1-methylpyrazol-3-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ccn(C)n1
InChIInChI=1S/C8H13N3O2/c1-6(8(12)13-3)9-7-4-5-11(2)10-7/h4-6H,1-3H3,(H,9,10)
InChIKeyUQGQRAGGLZMELP-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.39
Rot. Bonds3

About methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate

methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate (PubChem CID 66174339) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpyrazol-3-yl)amino]propanoate
PubChem CID66174339
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namemethyl 2-[(1-methylpyrazol-3-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ccn(C)n1
InChIInChI=1S/C8H13N3O2/c1-6(8(12)13-3)9-7-4-5-11(2)10-7/h4-6H,1-3H3,(H,9,10)
InChIKeyUQGQRAGGLZMELP-UHFFFAOYSA-N
XLogP0.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate
CID 104646481
N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide
CID 112723454
2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide
CID 112723457
methyl N-(1-methylpyrazol-3-yl)carbamate
CID 12774707
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid
CID 103256803
2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid
CID 103256808
[(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate
CID 155208509
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
2-bromo-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 60810457
ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate
CID 79778560
(1-methylpyrazol-3-yl)hydrazine;trihydrochloride
CID 75525830

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate?
The IUPAC name of methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate (CID 66174339) is methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate is COC(=O)C(C)Nc1ccn(C)n1.
What is the InChIKey of methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate?
The InChIKey is UQGQRAGGLZMELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(8(12)13-3)9-7-4-5-11(2)10-7/h4-6H,1-3H3,(H,9,10).
What are the key properties of methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate?
methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate has a molecular weight of 183.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate is sourced from PubChem (CID 66174339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).