3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide

C26H19F3N6O2 — CID 152817818

IUPAC3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(C4=NCC(=O)C=C4)nn3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C26H19F3N6O2/c1-34-12-11-21(32-34)19-13-16(7-9-20(19)26(27,28)29)25(37)31-24-14-23(22-10-8-18(36)15-30-22)33-35(24)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,31,37)
InChIKeySSXLBFAKNFBYAZ-UHFFFAOYSA-N
MW504.47 g/mol
LogP4.47
Rot. Bonds5

About 3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide

3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide (PubChem CID 152817818) has the molecular formula C26H19F3N6O2 and a molecular weight of 504.47 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
PubChem CID152817818
Molecular FormulaC26H19F3N6O2
Molecular Weight504.47 g/mol
Exact Mass504.15
IUPAC Name3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(C4=NCC(=O)C=C4)nn3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C26H19F3N6O2/c1-34-12-11-21(32-34)19-13-16(7-9-20(19)26(27,28)29)25(37)31-24-14-23(22-10-8-18(36)15-30-22)33-35(24)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,31,37)
InChIKeySSXLBFAKNFBYAZ-UHFFFAOYSA-N
XLogP4.47
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide (CID 152817818) is 3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cc(C4=NCC(=O)C=C4)nn3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is SSXLBFAKNFBYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N6O2/c1-34-12-11-21(32-34)19-13-16(7-9-20(19)26(27,28)29)25(37)31-24-14-23(22-10-8-18(36)15-30-22)33-35(24)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,31,37).
What are the key properties of 3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide?
3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 504.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-N-[3-(3-oxo-2H-pyridin-6-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 152817818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).