N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

C17H12F3N3O2 — CID 25284369

IUPACN-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H12F3N3O2/c1-25-15-9-23(12-5-2-10(18)3-6-12)22-16(15)17(24)21-11-4-7-13(19)14(20)8-11/h2-9H,1H3,(H,21,24)
InChIKeyRUFIOCWIYSAXQP-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.55
Rot. Bonds4

About N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 25284369) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID25284369
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC NameN-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H12F3N3O2/c1-25-15-9-23(12-5-2-10(18)3-6-12)22-16(15)17(24)21-11-4-7-13(19)14(20)8-11/h2-9H,1H3,(H,21,24)
InChIKeyRUFIOCWIYSAXQP-UHFFFAOYSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (CID 25284369) is N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is RUFIOCWIYSAXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-25-15-9-23(12-5-2-10(18)3-6-12)22-16(15)17(24)21-11-4-7-13(19)14(20)8-11/h2-9H,1H3,(H,21,24).
What are the key properties of N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 25284369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).