N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C16H11F4N3O2 — CID 44551518

IUPACN-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccoc2-c2ccc(F)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C16H11F4N3O2/c1-23-8-11(14(22-23)16(18,19)20)15(24)21-12-6-7-25-13(12)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,21,24)
InChIKeyVCFNASVOLIFXEH-UHFFFAOYSA-N
MW353.28 g/mol
LogP4.09
Rot. Bonds3

About N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 44551518) has the molecular formula C16H11F4N3O2 and a molecular weight of 353.28 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID44551518
Molecular FormulaC16H11F4N3O2
Molecular Weight353.28 g/mol
Exact Mass353.08
IUPAC NameN-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccoc2-c2ccc(F)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C16H11F4N3O2/c1-23-8-11(14(22-23)16(18,19)20)15(24)21-12-6-7-25-13(12)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,21,24)
InChIKeyVCFNASVOLIFXEH-UHFFFAOYSA-N
XLogP4.09
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 44551518) is N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccoc2-c2ccc(F)cc2)c(C(F)(F)F)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is VCFNASVOLIFXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O2/c1-23-8-11(14(22-23)16(18,19)20)15(24)21-12-6-7-25-13(12)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 353.28 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 44551518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).