4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C21H19F3N4O3 — CID 39949935

IUPAC4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1nn(-c2ccccc2C(F)(F)F)cc1O
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)16-3-1-2-4-17(16)28-13-18(29)19(26-28)20(30)25-14-5-7-15(8-6-14)27-9-11-31-12-10-27/h1-8,13,29H,9-12H2,(H,25,30)
InChIKeySGDODRLPCGSLLR-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.69
Rot. Bonds4

About 4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 39949935) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID39949935
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1nn(-c2ccccc2C(F)(F)F)cc1O
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)16-3-1-2-4-17(16)28-13-18(29)19(26-28)20(30)25-14-5-7-15(8-6-14)27-9-11-31-12-10-27/h1-8,13,29H,9-12H2,(H,25,30)
InChIKeySGDODRLPCGSLLR-UHFFFAOYSA-N
XLogP3.69
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 39949935) is 4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1nn(-c2ccccc2C(F)(F)F)cc1O.
What is the InChIKey of 4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is SGDODRLPCGSLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c22-21(23,24)16-3-1-2-4-17(16)28-13-18(29)19(26-28)20(30)25-14-5-7-15(8-6-14)27-9-11-31-12-10-27/h1-8,13,29H,9-12H2,(H,25,30).
What are the key properties of 4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 39949935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).