N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide

C22H23F2N3O2 — CID 55656277

IUPACN-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCCC(NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccccc1OC(F)F
InChIInChI=1S/C22H23F2N3O2/c1-2-19(18-10-6-7-11-20(18)29-22(23)24)26-21(28)13-12-16-14-25-27(15-16)17-8-4-3-5-9-17/h3-11,14-15,19,22H,2,12-13H2,1H3,(H,26,28)
InChIKeyKUPKJDFPHOHXIU-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.67
Rot. Bonds9

About N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 55656277) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID55656277
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCCC(NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccccc1OC(F)F
InChIInChI=1S/C22H23F2N3O2/c1-2-19(18-10-6-7-11-20(18)29-22(23)24)26-21(28)13-12-16-14-25-27(15-16)17-8-4-3-5-9-17/h3-11,14-15,19,22H,2,12-13H2,1H3,(H,26,28)
InChIKeyKUPKJDFPHOHXIU-UHFFFAOYSA-N
XLogP4.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119212150
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
CID 51942664
N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 18287238
N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 120507987
(2S)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]hexanoic acid
CID 120615364
methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 134015732
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55656292
N-[1-(2-methoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622310
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844401
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 55656277) is N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide is CCC(NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is KUPKJDFPHOHXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c1-2-19(18-10-6-7-11-20(18)29-22(23)24)26-21(28)13-12-16-14-25-27(15-16)17-8-4-3-5-9-17/h3-11,14-15,19,22H,2,12-13H2,1H3,(H,26,28).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 399.44 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55656277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).