N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide

C26H23FN4O2 — CID 56500113

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H23FN4O2/c27-23-17-20(11-12-24(23)30-13-15-33-16-14-30)28-26(32)22-18-31(21-9-5-2-6-10-21)29-25(22)19-7-3-1-4-8-19/h1-12,17-18H,13-16H2,(H,28,32)
InChIKeyJFAOJBGMFCHSQQ-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.77
Rot. Bonds5

About N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide

N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 56500113) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID56500113
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H23FN4O2/c27-23-17-20(11-12-24(23)30-13-15-33-16-14-30)28-26(32)22-18-31(21-9-5-2-6-10-21)29-25(22)19-7-3-1-4-8-19/h1-12,17-18H,13-16H2,(H,28,32)
InChIKeyJFAOJBGMFCHSQQ-UHFFFAOYSA-N
XLogP4.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2121799
N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 17482398
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336041
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 55784527
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate
CID 26057235
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
3-(4-methylphenyl)-N-(morpholine-4-carbothioyl)-1-phenylpyrazole-4-carboxamide
CID 2333898
4-[[3-(3-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287582
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide (CID 56500113) is N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is JFAOJBGMFCHSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c27-23-17-20(11-12-24(23)30-13-15-33-16-14-30)28-26(32)22-18-31(21-9-5-2-6-10-21)29-25(22)19-7-3-1-4-8-19/h1-12,17-18H,13-16H2,(H,28,32).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 56500113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).