methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate

C15H19N3O2 — CID 62771523

IUPACmethyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate
SMILESCCNC(Cn1cc(-c2ccccc2)cn1)C(=O)OC
InChIInChI=1S/C15H19N3O2/c1-3-16-14(15(19)20-2)11-18-10-13(9-17-18)12-7-5-4-6-8-12/h4-10,14,16H,3,11H2,1-2H3
InChIKeyKEAIYPPYXAJXFR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.70
Rot. Bonds6

About methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate

methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate (PubChem CID 62771523) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate
PubChem CID62771523
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate
SMILESCCNC(Cn1cc(-c2ccccc2)cn1)C(=O)OC
InChIInChI=1S/C15H19N3O2/c1-3-16-14(15(19)20-2)11-18-10-13(9-17-18)12-7-5-4-6-8-12/h4-10,14,16H,3,11H2,1-2H3
InChIKeyKEAIYPPYXAJXFR-UHFFFAOYSA-N
XLogP1.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate
CID 165489990
4-(4-phenylpyrazol-1-yl)-2-(propylamino)butanoic acid
CID 63040336
3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide
CID 63328310
N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide
CID 76948882
2-ethyl-4-(4-phenylpyrazol-1-yl)but-2-enoic acid
CID 77101846
1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol
CID 62770090
N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62771315
2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
CID 121020143
2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 119102928
methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate
CID 62770643
methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate
CID 115970954
1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone
CID 63912454

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate?
The IUPAC name of methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate (CID 62771523) is methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate?
The canonical SMILES for methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate is CCNC(Cn1cc(-c2ccccc2)cn1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate?
The InChIKey is KEAIYPPYXAJXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-16-14(15(19)20-2)11-18-10-13(9-17-18)12-7-5-4-6-8-12/h4-10,14,16H,3,11H2,1-2H3.
What are the key properties of methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate?
methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate has a molecular weight of 273.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate is sourced from PubChem (CID 62771523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).