2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C23H24F3N5O2 — CID 58439298

IUPAC2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCn1ncc(C2CCCCC2)c1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C23H24F3N5O2/c1-31-21(17(13-29-31)14-6-3-2-4-7-14)30-19-10-9-15(12-16(19)20(27)32)33-22-18(23(24,25)26)8-5-11-28-22/h5,8-14,30H,2-4,6-7H2,1H3,(H2,27,32)
InChIKeyMJCFATPNJVZLMI-UHFFFAOYSA-N
MW459.47 g/mol
LogP5.52
Rot. Bonds6

About 2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 58439298) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is 2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID58439298
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC Name2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCn1ncc(C2CCCCC2)c1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C23H24F3N5O2/c1-31-21(17(13-29-31)14-6-3-2-4-7-14)30-19-10-9-15(12-16(19)20(27)32)33-22-18(23(24,25)26)8-5-11-28-22/h5,8-14,30H,2-4,6-7H2,1H3,(H2,27,32)
InChIKeyMJCFATPNJVZLMI-UHFFFAOYSA-N
XLogP5.52
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.47
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of 2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 58439298) is 2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is Cn1ncc(C2CCCCC2)c1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is MJCFATPNJVZLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-31-21(17(13-29-31)14-6-3-2-4-7-14)30-19-10-9-15(12-16(19)20(27)32)33-22-18(23(24,25)26)8-5-11-28-22/h5,8-14,30H,2-4,6-7H2,1H3,(H2,27,32).
What are the key properties of 2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 459.47 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 58439298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).