ethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate

C19H16FN3O3 — CID 56682077

IUPACethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n[nH]1
InChIInChI=1S/C19H16FN3O3/c1-2-26-19(25)17-11-16(22-23-17)12-5-9-15(10-6-12)21-18(24)13-3-7-14(20)8-4-13/h3-11H,2H2,1H3,(H,21,24)(H,22,23)
InChIKeyDQUQMZMGNGOBDI-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.64
Rot. Bonds5

About ethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate

ethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate (PubChem CID 56682077) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is ethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
PubChem CID56682077
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Nameethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n[nH]1
InChIInChI=1S/C19H16FN3O3/c1-2-26-19(25)17-11-16(22-23-17)12-5-9-15(10-6-12)21-18(24)13-3-7-14(20)8-4-13/h3-11H,2H2,1H3,(H,21,24)(H,22,23)
InChIKeyDQUQMZMGNGOBDI-UHFFFAOYSA-N
XLogP3.64
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[4-[(4-fluorobenzoyl)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-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate (CID 56682077) is ethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n[nH]1.
What is the InChIKey of ethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate?
The InChIKey is DQUQMZMGNGOBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-2-26-19(25)17-11-16(22-23-17)12-5-9-15(10-6-12)21-18(24)13-3-7-14(20)8-4-13/h3-11H,2H2,1H3,(H,21,24)(H,22,23).
What are the key properties of ethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate?
ethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate has a molecular weight of 353.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 56682077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).