ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate

C14H13F2N3O3 — CID 84599764

IUPACethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)Cc2cccc(F)c2F)n[nH]1
InChIInChI=1S/C14H13F2N3O3/c1-2-22-14(21)10-7-11(19-18-10)17-12(20)6-8-4-3-5-9(15)13(8)16/h3-5,7H,2,6H2,1H3,(H2,17,18,19,20)
InChIKeyAOGXPMAJMIWFDH-UHFFFAOYSA-N
MW309.27 g/mol
LogP2.05
Rot. Bonds5

About ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate

ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate (PubChem CID 84599764) has the molecular formula C14H13F2N3O3 and a molecular weight of 309.27 g/mol. Its IUPAC name is ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate
PubChem CID84599764
Molecular FormulaC14H13F2N3O3
Molecular Weight309.27 g/mol
Exact Mass309.09
IUPAC Nameethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)Cc2cccc(F)c2F)n[nH]1
InChIInChI=1S/C14H13F2N3O3/c1-2-22-14(21)10-7-11(19-18-10)17-12(20)6-8-4-3-5-9(15)13(8)16/h3-5,7H,2,6H2,1H3,(H2,17,18,19,20)
InChIKeyAOGXPMAJMIWFDH-UHFFFAOYSA-N
XLogP2.05
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate (CID 84599764) is ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(NC(=O)Cc2cccc(F)c2F)n[nH]1.
What is the InChIKey of ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate?
The InChIKey is AOGXPMAJMIWFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3/c1-2-22-14(21)10-7-11(19-18-10)17-12(20)6-8-4-3-5-9(15)13(8)16/h3-5,7H,2,6H2,1H3,(H2,17,18,19,20).
What are the key properties of ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate?
ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate has a molecular weight of 309.27 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(2,3-difluorophenyl)acetyl]amino]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 84599764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).