4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide

C22H24N4O2 — CID 2558643

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)n1
InChIInChI=1S/C22H24N4O2/c1-16-15-17(2)26(24-16)21-7-3-18(4-8-21)22(27)23-19-5-9-20(10-6-19)25-11-13-28-14-12-25/h3-10,15H,11-14H2,1-2H3,(H,23,27)
InChIKeyPDRFEDGWJPGLMR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.58
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 2558643) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID2558643
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)n1
InChIInChI=1S/C22H24N4O2/c1-16-15-17(2)26(24-16)21-7-3-18(4-8-21)22(27)23-19-5-9-20(10-6-19)25-11-13-28-14-12-25/h3-10,15H,11-14H2,1-2H3,(H,23,27)
InChIKeyPDRFEDGWJPGLMR-UHFFFAOYSA-N
XLogP3.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.58
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 4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide (CID 2558643) is 4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is PDRFEDGWJPGLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-15-17(2)26(24-16)21-7-3-18(4-8-21)22(27)23-19-5-9-20(10-6-19)25-11-13-28-14-12-25/h3-10,15H,11-14H2,1-2H3,(H,23,27).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 2558643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).