methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate

C15H19N3O2 — CID 62108797

IUPACmethyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate
SMILESCOC(=O)C(NC(C)c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-11(13-9-16-18(2)10-13)17-14(15(19)20-3)12-7-5-4-6-8-12/h4-11,14,17H,1-3H3
InChIKeyLDQIDGGUMOYGIU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.99
Rot. Bonds5

About methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate

methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate (PubChem CID 62108797) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate
PubChem CID62108797
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate
SMILESCOC(=O)C(NC(C)c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-11(13-9-16-18(2)10-13)17-14(15(19)20-3)12-7-5-4-6-8-12/h4-11,14,17H,1-3H3
InChIKeyLDQIDGGUMOYGIU-UHFFFAOYSA-N
XLogP1.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 62116326
3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 119781515
methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate
CID 61002889
methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate
CID 83119608
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289196
methyl (2S,3R)-2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]-3-phenylpropanoate
CID 97223126
methyl (2R,3R)-2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]-3-phenylpropanoate
CID 97223127
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]butanoic acid
CID 55036497
methyl 2-(1-methylpyrazol-4-yl)butanoate
CID 62395222
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate (CID 62108797) is methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate is COC(=O)C(NC(C)c1cnn(C)c1)c1ccccc1.
What is the InChIKey of methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate?
The InChIKey is LDQIDGGUMOYGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(13-9-16-18(2)10-13)17-14(15(19)20-3)12-7-5-4-6-8-12/h4-11,14,17H,1-3H3.
What are the key properties of methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate?
methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate has a molecular weight of 273.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate is sourced from PubChem (CID 62108797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).