N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

C23H26N4O2 — CID 2811266

IUPACN-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-2-6-22-21(17-24-27(22)20-7-4-3-5-8-20)23(28)25-18-9-11-19(12-10-18)26-13-15-29-16-14-26/h3-5,7-12,17H,2,6,13-16H2,1H3,(H,25,28)
InChIKeyFXXFKJZHMNRHDQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.91
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 2811266) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID2811266
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-2-6-22-21(17-24-27(22)20-7-4-3-5-8-20)23(28)25-18-9-11-19(12-10-18)26-13-15-29-16-14-26/h3-5,7-12,17H,2,6,13-16H2,1H3,(H,25,28)
InChIKeyFXXFKJZHMNRHDQ-UHFFFAOYSA-N
XLogP3.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (CID 2811266) is N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is FXXFKJZHMNRHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-6-22-21(17-24-27(22)20-7-4-3-5-8-20)23(28)25-18-9-11-19(12-10-18)26-13-15-29-16-14-26/h3-5,7-12,17H,2,6,13-16H2,1H3,(H,25,28).
What are the key properties of N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 2811266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).