N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide

C20H13F3N6O — CID 52946747

IUPACN-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide
SMILESO=C(Nc1cnc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C20H13F3N6O/c21-20(22,23)16-9-15(14-7-4-8-24-10-14)28-29(16)18-12-25-17(11-26-18)27-19(30)13-5-2-1-3-6-13/h1-12H,(H,25,27,30)
InChIKeyKLUBTBYLHVKGLO-UHFFFAOYSA-N
MW410.36 g/mol
LogP4.00
Rot. Bonds4

About N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide

N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide (PubChem CID 52946747) has the molecular formula C20H13F3N6O and a molecular weight of 410.36 g/mol. Its IUPAC name is N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide
PubChem CID52946747
Molecular FormulaC20H13F3N6O
Molecular Weight410.36 g/mol
Exact Mass410.11
IUPAC NameN-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide
SMILESO=C(Nc1cnc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C20H13F3N6O/c21-20(22,23)16-9-15(14-7-4-8-24-10-14)28-29(16)18-12-25-17(11-26-18)27-19(30)13-5-2-1-3-6-13/h1-12H,(H,25,27,30)
InChIKeyKLUBTBYLHVKGLO-UHFFFAOYSA-N
XLogP4.00
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide?
The IUPAC name of N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide (CID 52946747) is N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide is O=C(Nc1cnc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccccc1.
What is the InChIKey of N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide?
The InChIKey is KLUBTBYLHVKGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6O/c21-20(22,23)16-9-15(14-7-4-8-24-10-14)28-29(16)18-12-25-17(11-26-18)27-19(30)13-5-2-1-3-6-13/h1-12H,(H,25,27,30).
What are the key properties of N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide?
N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide has a molecular weight of 410.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 52946747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).