2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide

C20H18F2N4O2 — CID 10022888

IUPAC2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESCC(NC(=O)Cc1cc(F)ccc1F)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C20H18F2N4O2/c1-12(23-19(27)10-14-9-15(21)7-8-16(14)22)20(28)24-18-11-17(25-26-18)13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,23,27)(H2,24,25,26,28)
InChIKeyGBOIVAGSGSZLCK-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.04
Rot. Bonds6

About 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide

2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (PubChem CID 10022888) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
PubChem CID10022888
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESCC(NC(=O)Cc1cc(F)ccc1F)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C20H18F2N4O2/c1-12(23-19(27)10-14-9-15(21)7-8-16(14)22)20(28)24-18-11-17(25-26-18)13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,23,27)(H2,24,25,26,28)
InChIKeyGBOIVAGSGSZLCK-UHFFFAOYSA-N
XLogP3.04
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (CID 10022888) is 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is CC(NC(=O)Cc1cc(F)ccc1F)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is GBOIVAGSGSZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-12(23-19(27)10-14-9-15(21)7-8-16(14)22)20(28)24-18-11-17(25-26-18)13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 384.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 10022888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).