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

C24H23F3N4O2 — CID 71544075

IUPAC5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C24H23F3N4O2/c1-15-21(14-29-31-15)23(32)30-19-8-5-16(6-9-19)11-17-3-2-4-20(12-17)33-22-10-7-18(13-28-22)24(25,26)27/h2-4,7,10-14,19H,5-6,8-9H2,1H3,(H,29,31)(H,30,32)/b16-11-
InChIKeyTWJHOKVLXQCYRO-WJDWOHSUSA-N
MW456.47 g/mol
LogP5.68
Rot. Bonds5

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

5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide (PubChem CID 71544075) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
PubChem CID71544075
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C24H23F3N4O2/c1-15-21(14-29-31-15)23(32)30-19-8-5-16(6-9-19)11-17-3-2-4-20(12-17)33-22-10-7-18(13-28-22)24(25,26)27/h2-4,7,10-14,19H,5-6,8-9H2,1H3,(H,29,31)(H,30,32)/b16-11-
InChIKeyTWJHOKVLXQCYRO-WJDWOHSUSA-N
XLogP5.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.47
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide (CID 71544075) is 5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.
What is the InChIKey of 5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The InChIKey is TWJHOKVLXQCYRO-WJDWOHSUSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-15-21(14-29-31-15)23(32)30-19-8-5-16(6-9-19)11-17-3-2-4-20(12-17)33-22-10-7-18(13-28-22)24(25,26)27/h2-4,7,10-14,19H,5-6,8-9H2,1H3,(H,29,31)(H,30,32)/b16-11-.
What are the key properties of 5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 5.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71544075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).