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

C26H21N5O2 — CID 117075038

IUPACN-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2)c1
InChIInChI=1S/C26H21N5O2/c1-18-5-2-6-19(11-18)13-25(32)29-23-16-28-31(17-23)24-10-4-8-21(14-24)26(33)30-22-9-3-7-20(12-22)15-27/h2-12,14,16-17H,13H2,1H3,(H,29,32)(H,30,33)
InChIKeyLWBFQOCHKKVRLG-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.49
Rot. Bonds6

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

N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide (PubChem CID 117075038) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
PubChem CID117075038
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC NameN-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2)c1
InChIInChI=1S/C26H21N5O2/c1-18-5-2-6-19(11-18)13-25(32)29-23-16-28-31(17-23)24-10-4-8-21(14-24)26(33)30-22-9-3-7-20(12-22)15-27/h2-12,14,16-17H,13H2,1H3,(H,29,32)(H,30,33)
InChIKeyLWBFQOCHKKVRLG-UHFFFAOYSA-N
XLogP4.49
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42344718
3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 117075185
N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117074983
3-[[4-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzoyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074432
4-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 117074693
2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
CID 117079181
N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26316659
N-(2,5-dimethoxyphenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide;2,2,2-trifluoroacetate
CID 117074570
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42238129
3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076261
3-cyano-N-(5-methyl-3-pyridinyl)-5-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]benzamide;2,2,2-trifluoroacetic acid
CID 117075926
4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 39853571

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The IUPAC name of N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide (CID 117075038) is N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide is Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The InChIKey is LWBFQOCHKKVRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-18-5-2-6-19(11-18)13-25(32)29-23-16-28-31(17-23)24-10-4-8-21(14-24)26(33)30-22-9-3-7-20(12-22)15-27/h2-12,14,16-17H,13H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide has a molecular weight of 435.49 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide is sourced from PubChem (CID 117075038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).