ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate

C19H15F2N3O3 — CID 56665089

IUPACethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)n[nH]1
InChIInChI=1S/C19H15F2N3O3/c1-2-27-19(26)16-10-15(23-24-16)11-6-8-12(9-7-11)22-18(25)17-13(20)4-3-5-14(17)21/h3-10H,2H2,1H3,(H,22,25)(H,23,24)
InChIKeyXQHUHPOGCPLQDJ-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.78
Rot. Bonds5

About ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate

ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate (PubChem CID 56665089) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
PubChem CID56665089
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC Nameethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)n[nH]1
InChIInChI=1S/C19H15F2N3O3/c1-2-27-19(26)16-10-15(23-24-16)11-6-8-12(9-7-11)22-18(25)17-13(20)4-3-5-14(17)21/h3-10H,2H2,1H3,(H,22,25)(H,23,24)
InChIKeyXQHUHPOGCPLQDJ-UHFFFAOYSA-N
XLogP3.78
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate (CID 56665089) is ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)n[nH]1.
What is the InChIKey of ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate?
The InChIKey is XQHUHPOGCPLQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c1-2-27-19(26)16-10-15(23-24-16)11-6-8-12(9-7-11)22-18(25)17-13(20)4-3-5-14(17)21/h3-10H,2H2,1H3,(H,22,25)(H,23,24).
What are the key properties of ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate?
ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate has a molecular weight of 371.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 56665089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).