3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide

C28H29N5O2 — CID 34708687

IUPAC3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide
SMILESCN(CC(=O)N(CCC(N)=O)c1ccccc1)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H29N5O2/c1-31(21-27(35)32(18-17-26(29)34)24-13-7-3-8-14-24)19-23-20-33(25-15-9-4-10-16-25)30-28(23)22-11-5-2-6-12-22/h2-16,20H,17-19,21H2,1H3,(H2,29,34)
InChIKeyYDARWRWAZVGWOD-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.88
Rot. Bonds10

About 3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide

3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide (PubChem CID 34708687) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide
PubChem CID34708687
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide
SMILESCN(CC(=O)N(CCC(N)=O)c1ccccc1)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H29N5O2/c1-31(21-27(35)32(18-17-26(29)34)24-13-7-3-8-14-24)19-23-20-33(25-15-9-4-10-16-25)30-28(23)22-11-5-2-6-12-22/h2-16,20H,17-19,21H2,1H3,(H2,29,34)
InChIKeyYDARWRWAZVGWOD-UHFFFAOYSA-N
XLogP3.88
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide 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

2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55912722
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 9437010
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine
CID 60501613
N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 39791312
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
CID 31927363
4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 46644099
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide?
The IUPAC name of 3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide (CID 34708687) is 3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide.
What is the SMILES notation for 3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide?
The canonical SMILES for 3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide is CN(CC(=O)N(CCC(N)=O)c1ccccc1)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide?
The InChIKey is YDARWRWAZVGWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-31(21-27(35)32(18-17-26(29)34)24-13-7-3-8-14-24)19-23-20-33(25-15-9-4-10-16-25)30-28(23)22-11-5-2-6-12-22/h2-16,20H,17-19,21H2,1H3,(H2,29,34).
What are the key properties of 3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide?
3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide has a molecular weight of 467.57 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide is sourced from PubChem (CID 34708687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).