N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide

C23H26N4O2 — CID 34733192

IUPACN-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H26N4O2/c1-17(2)14-24-23(29)20-10-6-7-11-21(20)26-22(28)13-12-18-15-25-27(16-18)19-8-4-3-5-9-19/h3-11,15-17H,12-14H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyRKTKZYAEXXVULZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.83
Rot. Bonds8

About N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide

N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide (PubChem CID 34733192) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide
PubChem CID34733192
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H26N4O2/c1-17(2)14-24-23(29)20-10-6-7-11-21(20)26-22(28)13-12-18-15-25-27(16-18)19-8-4-3-5-9-19/h3-11,15-17H,12-14H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyRKTKZYAEXXVULZ-UHFFFAOYSA-N
XLogP3.83
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]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-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466177
N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
N-(2-methylpropyl)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 55772351
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 35359122
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633
N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 120507987
N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 34731870
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 134030127
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26955403
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide (CID 34733192) is N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)CCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide?
The InChIKey is RKTKZYAEXXVULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17(2)14-24-23(29)20-10-6-7-11-21(20)26-22(28)13-12-18-15-25-27(16-18)19-8-4-3-5-9-19/h3-11,15-17H,12-14H2,1-2H3,(H,24,29)(H,26,28).
What are the key properties of N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide?
N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide is sourced from PubChem (CID 34733192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).