N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide

C26H24N4O2 — CID 17482398

IUPACN-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H24N4O2/c31-26(27-23-13-7-8-14-24(23)29-15-17-32-18-16-29)22-19-30(21-11-5-2-6-12-21)28-25(22)20-9-3-1-4-10-20/h1-14,19H,15-18H2,(H,27,31)
InChIKeyYZLSCTYLZWHGPG-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.63
Rot. Bonds5

About N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide

N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 17482398) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID17482398
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H24N4O2/c31-26(27-23-13-7-8-14-24(23)29-15-17-32-18-16-29)22-19-30(21-11-5-2-6-12-21)28-25(22)20-9-3-1-4-10-20/h1-14,19H,15-18H2,(H,27,31)
InChIKeyYZLSCTYLZWHGPG-UHFFFAOYSA-N
XLogP4.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 56500113
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2121799
1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19281225
N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 2827797
3-(4-methylphenyl)-N-(morpholine-4-carbothioyl)-1-phenylpyrazole-4-carboxamide
CID 2333898
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390996
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816
N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 18076787
3-(4-bromophenyl)-N-(morpholine-4-carbothioyl)-1-phenylpyrazole-4-carboxamide
CID 2333876
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate
CID 26057235
2-amino-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110862415

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide (CID 17482398) is N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is YZLSCTYLZWHGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-26(27-23-13-7-8-14-24(23)29-15-17-32-18-16-29)22-19-30(21-11-5-2-6-12-21)28-25(22)20-9-3-1-4-10-20/h1-14,19H,15-18H2,(H,27,31).
What are the key properties of N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 17482398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).