ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate

C19H16FN3O3 — CID 1240922

IUPACethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C19H16FN3O3/c1-2-26-19(25)15-12-21-23(13-8-4-3-5-9-13)17(15)22-18(24)14-10-6-7-11-16(14)20/h3-12H,2H2,1H3,(H,22,24)
InChIKeyVVGZSWCZEBYOLD-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.44
Rot. Bonds5

About ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 1240922) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
PubChem CID1240922
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Nameethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C19H16FN3O3/c1-2-26-19(25)15-12-21-23(13-8-4-3-5-9-13)17(15)22-18(24)14-10-6-7-11-16(14)20/h3-12H,2H2,1H3,(H,22,24)
InChIKeyVVGZSWCZEBYOLD-UHFFFAOYSA-N
XLogP3.44
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate (CID 1240922) is ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F.
What is the InChIKey of ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is VVGZSWCZEBYOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-2-26-19(25)15-12-21-23(13-8-4-3-5-9-13)17(15)22-18(24)14-10-6-7-11-16(14)20/h3-12H,2H2,1H3,(H,22,24).
What are the key properties of ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 353.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 1240922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).