2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide

C17H11F5N4O — CID 58486876

IUPAC2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2F)c(F)c1
InChIInChI=1S/C17H11F5N4O/c1-26-13(7-14(25-26)17(20,21)22)9-6-12(19)15(23-8-9)24-16(27)10-4-2-3-5-11(10)18/h2-8H,1H3,(H,23,24,27)
InChIKeyURRWNTKMIGFALC-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.03
Rot. Bonds3

About 2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide

2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 58486876) has the molecular formula C17H11F5N4O and a molecular weight of 382.29 g/mol. Its IUPAC name is 2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
PubChem CID58486876
Molecular FormulaC17H11F5N4O
Molecular Weight382.29 g/mol
Exact Mass382.09
IUPAC Name2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2F)c(F)c1
InChIInChI=1S/C17H11F5N4O/c1-26-13(7-14(25-26)17(20,21)22)9-6-12(19)15(23-8-9)24-16(27)10-4-2-3-5-11(10)18/h2-8H,1H3,(H,23,24,27)
InChIKeyURRWNTKMIGFALC-UHFFFAOYSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide (CID 58486876) is 2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide is Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2F)c(F)c1.
What is the InChIKey of 2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is URRWNTKMIGFALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N4O/c1-26-13(7-14(25-26)17(20,21)22)9-6-12(19)15(23-8-9)24-16(27)10-4-2-3-5-11(10)18/h2-8H,1H3,(H,23,24,27).
What are the key properties of 2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 382.29 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 58486876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).