N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide

C23H23FN4O — CID 6175980

IUPACN-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C23H23FN4O/c24-20-13-11-17(12-14-20)22-19(16-28(27-22)21-9-5-2-6-10-21)15-25-26-23(29)18-7-3-1-4-8-18/h2,5-6,9-16,18H,1,3-4,7-8H2,(H,26,29)/b25-15-
InChIKeyNTQAMHRTKJMXSD-MYYYXRDXSA-N
MW390.46 g/mol
LogP4.71
Rot. Bonds5

About N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide

N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide (PubChem CID 6175980) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
PubChem CID6175980
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C23H23FN4O/c24-20-13-11-17(12-14-20)22-19(16-28(27-22)21-9-5-2-6-10-21)15-25-26-23(29)18-7-3-1-4-8-18/h2,5-6,9-16,18H,1,3-4,7-8H2,(H,26,29)/b25-15-
InChIKeyNTQAMHRTKJMXSD-MYYYXRDXSA-N
XLogP4.71
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
CID 40646787
N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
CID 51061602
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9073073
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769
2-bromo-N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6897229
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-nitrobenzamide
CID 2319723
N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 9352555
N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 6899688
methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate
CID 9075377
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4040412
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide (CID 6175980) is N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide is O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide?
The InChIKey is NTQAMHRTKJMXSD-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-20-13-11-17(12-14-20)22-19(16-28(27-22)21-9-5-2-6-10-21)15-25-26-23(29)18-7-3-1-4-8-18/h2,5-6,9-16,18H,1,3-4,7-8H2,(H,26,29)/b25-15-.
What are the key properties of N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide?
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 6175980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).