3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide

C23H17F3N4O — CID 118392501

IUPAC3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3ncccc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C23H17F3N4O/c1-30-13-11-20(29-30)18-14-16(9-10-19(18)23(24,25)26)22(31)28-21-17(8-5-12-27-21)15-6-3-2-4-7-15/h2-14H,1H3,(H,27,28,31)
InChIKeyPODFLSHTXGVGRR-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.42
Rot. Bonds4

About 3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide

3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide (PubChem CID 118392501) has the molecular formula C23H17F3N4O and a molecular weight of 422.41 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide
PubChem CID118392501
Molecular FormulaC23H17F3N4O
Molecular Weight422.41 g/mol
Exact Mass422.14
IUPAC Name3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3ncccc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C23H17F3N4O/c1-30-13-11-20(29-30)18-14-16(9-10-19(18)23(24,25)26)22(31)28-21-17(8-5-12-27-21)15-6-3-2-4-7-15/h2-14H,1H3,(H,27,28,31)
InChIKeyPODFLSHTXGVGRR-UHFFFAOYSA-N
XLogP5.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide (CID 118392501) is 3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3ncccc3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide?
The InChIKey is PODFLSHTXGVGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O/c1-30-13-11-20(29-30)18-14-16(9-10-19(18)23(24,25)26)22(31)28-21-17(8-5-12-27-21)15-6-3-2-4-7-15/h2-14H,1H3,(H,27,28,31).
What are the key properties of 3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide?
3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide has a molecular weight of 422.41 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-N-(3-phenyl-2-pyridinyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).