3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide

C25H25F3N4O2 — CID 71544183

IUPAC3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C25H25F3N4O2/c1-15-23(16(2)32-31-15)24(33)30-20-9-6-17(7-10-20)12-18-4-3-5-21(13-18)34-22-11-8-19(14-29-22)25(26,27)28/h3-5,8,11-14,20H,6-7,9-10H2,1-2H3,(H,30,33)(H,31,32)/b17-12-
InChIKeyUUVDXRMICPOWIC-ATVHPVEESA-N
MW470.50 g/mol
LogP5.99
Rot. Bonds5

About 3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide (PubChem CID 71544183) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
PubChem CID71544183
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C25H25F3N4O2/c1-15-23(16(2)32-31-15)24(33)30-20-9-6-17(7-10-20)12-18-4-3-5-21(13-18)34-22-11-8-19(14-29-22)25(26,27)28/h3-5,8,11-14,20H,6-7,9-10H2,1-2H3,(H,30,33)(H,31,32)/b17-12-
InChIKeyUUVDXRMICPOWIC-ATVHPVEESA-N
XLogP5.99
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide (CID 71544183) is 3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.
What is the InChIKey of 3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The InChIKey is UUVDXRMICPOWIC-ATVHPVEESA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-15-23(16(2)32-31-15)24(33)30-20-9-6-17(7-10-20)12-18-4-3-5-21(13-18)34-22-11-8-19(14-29-22)25(26,27)28/h3-5,8,11-14,20H,6-7,9-10H2,1-2H3,(H,30,33)(H,31,32)/b17-12-.
What are the key properties of 3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71544183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).