2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide

C23H24N4O3 — CID 117079181

IUPAC2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N4CCOCC4)c3)c2)c1
InChIInChI=1S/C23H24N4O3/c1-17-4-2-5-18(12-17)13-22(28)25-20-15-24-27(16-20)21-7-3-6-19(14-21)23(29)26-8-10-30-11-9-26/h2-7,12,14-16H,8-11,13H2,1H3,(H,25,28)
InChIKeyGXZAKLQHHZXRQP-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.83
Rot. Bonds5

About 2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide

2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide (PubChem CID 117079181) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
PubChem CID117079181
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N4CCOCC4)c3)c2)c1
InChIInChI=1S/C23H24N4O3/c1-17-4-2-5-18(12-17)13-22(28)25-20-15-24-27(16-20)21-7-3-6-19(14-21)23(29)26-8-10-30-11-9-26/h2-7,12,14-16H,8-11,13H2,1H3,(H,25,28)
InChIKeyGXZAKLQHHZXRQP-UHFFFAOYSA-N
XLogP2.83
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26316659
N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide
CID 45205259
N-[1-[3-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide
CID 42481734
N-benzyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42344718
N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117074983
3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 117075185
N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117075038
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42238129
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26279343
N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
CID 42274009
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-(3-methylphenyl)acetamide
CID 110671847
3-[[4-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzoyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074432

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide (CID 117079181) is 2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide is Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N4CCOCC4)c3)c2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide?
The InChIKey is GXZAKLQHHZXRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-17-4-2-5-18(12-17)13-22(28)25-20-15-24-27(16-20)21-7-3-6-19(14-21)23(29)26-8-10-30-11-9-26/h2-7,12,14-16H,8-11,13H2,1H3,(H,25,28).
What are the key properties of 2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide?
2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 117079181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).