N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide

C25H24FN3O3 — CID 176546099

IUPACN-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide
SMILESC=C(NC(=O)c1cc(-c2c(O)cccc2OC)n(C2=C=C=C(F)C=C2)n1)C1CCCCC1
InChIInChI=1S/C25H24FN3O3/c1-16(17-7-4-3-5-8-17)27-25(31)20-15-21(24-22(30)9-6-10-23(24)32-2)29(28-20)19-13-11-18(26)12-14-19/h6,9-11,13,15,17,30H,1,3-5,7-8H2,2H3,(H,27,31)
InChIKeyKRELLYVZQVNHMY-UHFFFAOYSA-N
MW433.48 g/mol
LogP5.11
Rot. Bonds6

About N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide

N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 176546099) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID176546099
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide
SMILESC=C(NC(=O)c1cc(-c2c(O)cccc2OC)n(C2=C=C=C(F)C=C2)n1)C1CCCCC1
InChIInChI=1S/C25H24FN3O3/c1-16(17-7-4-3-5-8-17)27-25(31)20-15-21(24-22(30)9-6-10-23(24)32-2)29(28-20)19-13-11-18(26)12-14-19/h6,9-11,13,15,17,30H,1,3-5,7-8H2,2H3,(H,27,31)
InChIKeyKRELLYVZQVNHMY-UHFFFAOYSA-N
XLogP5.11
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide (CID 176546099) is N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide is C=C(NC(=O)c1cc(-c2c(O)cccc2OC)n(C2=C=C=C(F)C=C2)n1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is KRELLYVZQVNHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-16(17-7-4-3-5-8-17)27-25(31)20-15-21(24-22(30)9-6-10-23(24)32-2)29(28-20)19-13-11-18(26)12-14-19/h6,9-11,13,15,17,30H,1,3-5,7-8H2,2H3,(H,27,31).
What are the key properties of N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide?
N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethenyl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)-5-(2-hydroxy-6-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 176546099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).