N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

C17H13F2N3O2 — CID 25284359

IUPACN-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H13F2N3O2/c1-24-15-10-22(12-8-6-11(18)7-9-12)21-16(15)17(23)20-14-5-3-2-4-13(14)19/h2-10H,1H3,(H,20,23)
InChIKeyDRVLWXVVAXYVMG-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.41
Rot. Bonds4

About N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 25284359) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID25284359
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H13F2N3O2/c1-24-15-10-22(12-8-6-11(18)7-9-12)21-16(15)17(23)20-14-5-3-2-4-13(14)19/h2-10H,1H3,(H,20,23)
InChIKeyDRVLWXVVAXYVMG-UHFFFAOYSA-N
XLogP3.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (CID 25284359) is N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is DRVLWXVVAXYVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-24-15-10-22(12-8-6-11(18)7-9-12)21-16(15)17(23)20-14-5-3-2-4-13(14)19/h2-10H,1H3,(H,20,23).
What are the key properties of N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 25284359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).