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

C20H13F3N6O — CID 52940693

IUPACN-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide
SMILESO=C(Nc1ncc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C20H13F3N6O/c21-20(22,23)17-9-16(14-7-4-8-24-10-14)28-29(17)15-11-25-19(26-12-15)27-18(30)13-5-2-1-3-6-13/h1-12H,(H,25,26,27,30)
InChIKeyIUMBGUOPTBQFGT-UHFFFAOYSA-N
MW410.36 g/mol
LogP4.00
Rot. Bonds4

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

N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide (PubChem CID 52940693) 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]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide
PubChem CID52940693
Molecular FormulaC20H13F3N6O
Molecular Weight410.36 g/mol
Exact Mass410.11
IUPAC NameN-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide
SMILESO=C(Nc1ncc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C20H13F3N6O/c21-20(22,23)17-9-16(14-7-4-8-24-10-14)28-29(17)15-11-25-19(26-12-15)27-18(30)13-5-2-1-3-6-13/h1-12H,(H,25,26,27,30)
InChIKeyIUMBGUOPTBQFGT-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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Related Compounds

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CID 67454400
CID 16006490
CID 16006490
CID 18549509
CID 18549509
CID 57861407
CID 57861407
CID 10272700
CID 10272700
CID 11155477
CID 11155477
CID 44520942
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CID 53328249
CID 53328249

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide?
The IUPAC name of N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide (CID 52940693) is N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide?
The canonical SMILES for N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide is O=C(Nc1ncc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccccc1.
What is the InChIKey of N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide?
The InChIKey is IUMBGUOPTBQFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6O/c21-20(22,23)17-9-16(14-7-4-8-24-10-14)28-29(17)15-11-25-19(26-12-15)27-18(30)13-5-2-1-3-6-13/h1-12H,(H,25,26,27,30).
What are the key properties of N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide?
N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-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]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 52940693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).