N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

C18H16FN3O2 — CID 25284347

IUPACN-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H16FN3O2/c1-24-16-12-22(15-9-7-14(19)8-10-15)21-17(16)18(23)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyOZJHETIIDVGDDB-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.95
Rot. Bonds5

About N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 25284347) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID25284347
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H16FN3O2/c1-24-16-12-22(15-9-7-14(19)8-10-15)21-17(16)18(23)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyOZJHETIIDVGDDB-UHFFFAOYSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (CID 25284347) is N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is OZJHETIIDVGDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-16-12-22(15-9-7-14(19)8-10-15)21-17(16)18(23)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,23).
What are the key properties of N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 25284347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).