N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide

C27H33N5O3 — CID 26316659

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)NCC(C)(C)N4CCOCC4)c3)c2)c1
InChIInChI=1S/C27H33N5O3/c1-20-6-4-7-21(14-20)15-25(33)30-23-17-29-32(18-23)24-9-5-8-22(16-24)26(34)28-19-27(2,3)31-10-12-35-13-11-31/h4-9,14,16-18H,10-13,15,19H2,1-3H3,(H,28,34)(H,30,33)
InChIKeyDXJFRWXATXTKTF-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.20
Rot. Bonds8

About N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide

N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide (PubChem CID 26316659) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
PubChem CID26316659
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)NCC(C)(C)N4CCOCC4)c3)c2)c1
InChIInChI=1S/C27H33N5O3/c1-20-6-4-7-21(14-20)15-25(33)30-23-17-29-32(18-23)24-9-5-8-22(16-24)26(34)28-19-27(2,3)31-10-12-35-13-11-31/h4-9,14,16-18H,10-13,15,19H2,1-3H3,(H,28,34)(H,30,33)
InChIKeyDXJFRWXATXTKTF-UHFFFAOYSA-N
XLogP3.20
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
CID 117079181
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
N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117075038
3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 117075185
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42238129
3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 61251148
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-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26279343
N-(2,5-dimethoxyphenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide;2,2,2-trifluoroacetate
CID 117074570
2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 55348072

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide (CID 26316659) is N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide is Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)NCC(C)(C)N4CCOCC4)c3)c2)c1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The InChIKey is DXJFRWXATXTKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-20-6-4-7-21(14-20)15-25(33)30-23-17-29-32(18-23)24-9-5-8-22(16-24)26(34)28-19-27(2,3)31-10-12-35-13-11-31/h4-9,14,16-18H,10-13,15,19H2,1-3H3,(H,28,34)(H,30,33).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide has a molecular weight of 475.59 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide is sourced from PubChem (CID 26316659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).