N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C24H24F3N3O2 — CID 155558663

IUPACN-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCOc1cccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nc2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H24F3N3O2/c1-32-20-9-5-6-16(14-20)21-15-30(19-12-10-17(11-13-19)24(25,26)27)29-22(21)23(31)28-18-7-3-2-4-8-18/h5-6,9-15,18H,2-4,7-8H2,1H3,(H,28,31)
InChIKeyGFQFXZAZCAIOAW-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.63
Rot. Bonds5

About N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 155558663) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID155558663
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC NameN-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCOc1cccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nc2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H24F3N3O2/c1-32-20-9-5-6-16(14-20)21-15-30(19-12-10-17(11-13-19)24(25,26)27)29-22(21)23(31)28-18-7-3-2-4-8-18/h5-6,9-15,18H,2-4,7-8H2,1H3,(H,28,31)
InChIKeyGFQFXZAZCAIOAW-UHFFFAOYSA-N
XLogP5.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 155558663) is N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is COc1cccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nc2C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is GFQFXZAZCAIOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-32-20-9-5-6-16(14-20)21-15-30(19-12-10-17(11-13-19)24(25,26)27)29-22(21)23(31)28-18-7-3-2-4-8-18/h5-6,9-15,18H,2-4,7-8H2,1H3,(H,28,31).
What are the key properties of N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 155558663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).