5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide

C27H32N4O3 — CID 5002174

IUPAC5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide
SMILESCc1nn(-c2ccccc2)c(NC(=O)CCCC(=O)N2CC(C)OC(C)C2)c1-c1ccccc1
InChIInChI=1S/C27H32N4O3/c1-19-17-30(18-20(2)34-19)25(33)16-10-15-24(32)28-27-26(22-11-6-4-7-12-22)21(3)29-31(27)23-13-8-5-9-14-23/h4-9,11-14,19-20H,10,15-18H2,1-3H3,(H,28,32)
InChIKeyHULQJBBSEDNKPB-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.59
Rot. Bonds7

About 5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide

5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide (PubChem CID 5002174) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide
PubChem CID5002174
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide
SMILESCc1nn(-c2ccccc2)c(NC(=O)CCCC(=O)N2CC(C)OC(C)C2)c1-c1ccccc1
InChIInChI=1S/C27H32N4O3/c1-19-17-30(18-20(2)34-19)25(33)16-10-15-24(32)28-27-26(22-11-6-4-7-12-22)21(3)29-31(27)23-13-8-5-9-14-23/h4-9,11-14,19-20H,10,15-18H2,1-3H3,(H,28,32)
InChIKeyHULQJBBSEDNKPB-UHFFFAOYSA-N
XLogP4.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide
CID 42765045
5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate
CID 7207474
N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide
CID 4311371
N-benzyl-N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]pentanediamide
CID 3682138
N-[1-(3-fluorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide
CID 3538346
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 29196845
N-cyclohexyl-N'-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]butanediamide
CID 5186742
N-[1-(3-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-(4-ethylpiperazin-1-yl)-4-oxobutanamide
CID 4679445
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
CID 807657
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 90507580
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethane-1,2-dione
CID 27661508
1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylphenoxy)butan-1-one
CID 127115825

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide (CID 5002174) is 5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide is Cc1nn(-c2ccccc2)c(NC(=O)CCCC(=O)N2CC(C)OC(C)C2)c1-c1ccccc1.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide?
The InChIKey is HULQJBBSEDNKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-19-17-30(18-20(2)34-19)25(33)16-10-15-24(32)28-27-26(22-11-6-4-7-12-22)21(3)29-31(27)23-13-8-5-9-14-23/h4-9,11-14,19-20H,10,15-18H2,1-3H3,(H,28,32).
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide?
5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide has a molecular weight of 460.58 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide is sourced from PubChem (CID 5002174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).