N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide

C24H28N4O2 — CID 49170952

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCC1CN(c2ccc(NC(=O)CCc3cnn(-c4ccccc4)c3)cc2)CC(C)O1
InChIInChI=1S/C24H28N4O2/c1-18-15-27(16-19(2)30-18)22-11-9-21(10-12-22)26-24(29)13-8-20-14-25-28(17-20)23-6-4-3-5-7-23/h3-7,9-12,14,17-19H,8,13,15-16H2,1-2H3,(H,26,29)
InChIKeyPWUWYVBYRQUJEA-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.06
Rot. Bonds6

About N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 49170952) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID49170952
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCC1CN(c2ccc(NC(=O)CCc3cnn(-c4ccccc4)c3)cc2)CC(C)O1
InChIInChI=1S/C24H28N4O2/c1-18-15-27(16-19(2)30-18)22-11-9-21(10-12-22)26-24(29)13-8-20-14-25-28(17-20)23-6-4-3-5-7-23/h3-7,9-12,14,17-19H,8,13,15-16H2,1-2H3,(H,26,29)
InChIKeyPWUWYVBYRQUJEA-UHFFFAOYSA-N
XLogP4.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.06
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

N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55736251
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26809580
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 32720733
3-[2-[4-(2,6-dimethylmorpholin-4-yl)anilino]-2-oxoethyl]sulfanylpropanamide
CID 71046184
3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 35359122
N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 75510980
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24646854
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 51929909
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 40722991
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 56508207
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 49170952) is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide is CC1CN(c2ccc(NC(=O)CCc3cnn(-c4ccccc4)c3)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is PWUWYVBYRQUJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18-15-27(16-19(2)30-18)22-11-9-21(10-12-22)26-24(29)13-8-20-14-25-28(17-20)23-6-4-3-5-7-23/h3-7,9-12,14,17-19H,8,13,15-16H2,1-2H3,(H,26,29).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 404.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 49170952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).