2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide

C21H14F3N5O — CID 154270793

IUPAC2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1-c1ccncc1
InChIInChI=1S/C21H14F3N5O/c22-21(23,24)19-11-18(14-2-1-7-27-12-14)28-29(19)15-3-4-16(20(25)30)17(10-15)13-5-8-26-9-6-13/h1-12H,(H2,25,30)
InChIKeyODUDNINICMFUKP-UHFFFAOYSA-N
MW409.37 g/mol
LogP4.11
Rot. Bonds4

About 2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide

2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 154270793) has the molecular formula C21H14F3N5O and a molecular weight of 409.37 g/mol. Its IUPAC name is 2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound Name2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID154270793
Molecular FormulaC21H14F3N5O
Molecular Weight409.37 g/mol
Exact Mass409.12
IUPAC Name2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1-c1ccncc1
InChIInChI=1S/C21H14F3N5O/c22-21(23,24)19-11-18(14-2-1-7-27-12-14)28-29(19)15-3-4-16(20(25)30)17(10-15)13-5-8-26-9-6-13/h1-12H,(H2,25,30)
InChIKeyODUDNINICMFUKP-UHFFFAOYSA-N
XLogP4.11
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-phenyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
CID 154321064
N-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 89354150
(2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide
CID 89354169
2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 10298748
N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide
CID 89354274
CID 89354167
CID 89354167
3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
CID 7797396
2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide
CID 173142910
N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 68976690
4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide
CID 159949723
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzamide
CID 139933693
ethyl 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
CID 4225085

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of 2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 154270793) is 2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for 2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for 2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide is NC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1-c1ccncc1.
What is the InChIKey of 2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is ODUDNINICMFUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O/c22-21(23,24)19-11-18(14-2-1-7-27-12-14)28-29(19)15-3-4-16(20(25)30)17(10-15)13-5-8-26-9-6-13/h1-12H,(H2,25,30).
What are the key properties of 2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 409.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 154270793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).