ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate

C18H15FN4O3 — CID 98954640

IUPACethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H15FN4O3/c1-2-26-18(25)16-14(4-3-10-20-16)21-17(24)15-9-11-23(22-15)13-7-5-12(19)6-8-13/h3-11H,2H2,1H3,(H,21,24)
InChIKeyINQMRXFABAFLEO-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.84
Rot. Bonds5

About ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate

ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 98954640) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate
PubChem CID98954640
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Nameethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H15FN4O3/c1-2-26-18(25)16-14(4-3-10-20-16)21-17(24)15-9-11-23(22-15)13-7-5-12(19)6-8-13/h3-11H,2H2,1H3,(H,21,24)
InChIKeyINQMRXFABAFLEO-UHFFFAOYSA-N
XLogP2.84
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate (CID 98954640) is ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate is CCOC(=O)c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is INQMRXFABAFLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-2-26-18(25)16-14(4-3-10-20-16)21-17(24)15-9-11-23(22-15)13-7-5-12(19)6-8-13/h3-11H,2H2,1H3,(H,21,24).
What are the key properties of ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate?
ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 354.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 98954640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).