ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate

C16H18ClN3O3 — CID 175151342

IUPACethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)(NC(=O)c1ccnn1C)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3/c1-4-23-15(22)16(2,11-6-5-7-12(17)10-11)19-14(21)13-8-9-18-20(13)3/h5-10H,4H2,1-3H3,(H,19,21)
InChIKeyFZUFESNGUXLCRH-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.28
Rot. Bonds5

About ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate

ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate (PubChem CID 175151342) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate
PubChem CID175151342
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Nameethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)(NC(=O)c1ccnn1C)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3/c1-4-23-15(22)16(2,11-6-5-7-12(17)10-11)19-14(21)13-8-9-18-20(13)3/h5-10H,4H2,1-3H3,(H,19,21)
InChIKeyFZUFESNGUXLCRH-UHFFFAOYSA-N
XLogP2.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-anilino-2-(3-chlorophenyl)propanoate
CID 60992307
N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyrazole-3-carboxamide
CID 105059721
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
CID 117049814
ethyl 2-(3-chlorophenyl)-2-(methylamino)butanoate
CID 60788391
ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
CID 60788385
methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate
CID 86788263
ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate
CID 64540117
ethyl 2-(3-chlorophenyl)-2-(prop-2-ynylamino)butanoate
CID 62364965
ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate
CID 66813687
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
ethyl 2-[1-(3-chlorophenyl)-1-hydroxyethyl]pentanoate
CID 83042781

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate (CID 175151342) is ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate is CCOC(=O)C(C)(NC(=O)c1ccnn1C)c1cccc(Cl)c1.
What is the InChIKey of ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate?
The InChIKey is FZUFESNGUXLCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-4-23-15(22)16(2,11-6-5-7-12(17)10-11)19-14(21)13-8-9-18-20(13)3/h5-10H,4H2,1-3H3,(H,19,21).
What are the key properties of ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate?
ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate has a molecular weight of 335.79 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 175151342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).