ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate

C12H11F2N3O2 — CID 14994513

IUPACethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(N)n(-c2ccc(F)cc2F)n1
InChIInChI=1S/C12H11F2N3O2/c1-2-19-12(18)9-6-11(15)17(16-9)10-4-3-7(13)5-8(10)14/h3-6H,2,15H2,1H3
InChIKeyQLPUSMBYLXOBLO-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.91
Rot. Bonds3

About ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate

ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate (PubChem CID 14994513) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate
PubChem CID14994513
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Nameethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(N)n(-c2ccc(F)cc2F)n1
InChIInChI=1S/C12H11F2N3O2/c1-2-19-12(18)9-6-11(15)17(16-9)10-4-3-7(13)5-8(10)14/h3-6H,2,15H2,1H3
InChIKeyQLPUSMBYLXOBLO-UHFFFAOYSA-N
XLogP1.91
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate
CID 11391384
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Ethyl 5-(difluoromethyl)-2-phenylpyrazole-3-carboxylate
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Ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate
CID 13329148
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Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate
CID 23630921
ethyl 1-phenyl-5-(trifluoromethyl)-1 H-pyrazole-3-carboxylate
CID 15205127
Ethyl 5-amino-1-(2,4-difluorophenyl)-4-methylpyrazole-3-carboxylate
CID 24824594
Ethyl 5-amino-4-cyano-1-(2,4-difluorophenyl)pyrazole-3-carboxylate
CID 82589829
ethyl 1-(p-tolyl)-5-((3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl)amino)-1H-pyrazole-3-carboxylate
CID 167313180
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate (CID 14994513) is ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(N)n(-c2ccc(F)cc2F)n1.
What is the InChIKey of ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate?
The InChIKey is QLPUSMBYLXOBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-2-19-12(18)9-6-11(15)17(16-9)10-4-3-7(13)5-8(10)14/h3-6H,2,15H2,1H3.
What are the key properties of ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate?
ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate has a molecular weight of 267.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 14994513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).