N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide

C20H20N4O3 — CID 42958650

IUPACN-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1)n1cccn1
InChIInChI=1S/C20H20N4O3/c1-15(24-12-6-11-21-24)20(26)23-17-8-5-7-16(13-17)22-19(25)14-27-18-9-3-2-4-10-18/h2-13,15H,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyPXUSOQNRELNUJD-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.10
Rot. Bonds7

About N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide

N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 42958650) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID42958650
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1)n1cccn1
InChIInChI=1S/C20H20N4O3/c1-15(24-12-6-11-21-24)20(26)23-17-8-5-7-16(13-17)22-19(25)14-27-18-9-3-2-4-10-18/h2-13,15H,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyPXUSOQNRELNUJD-UHFFFAOYSA-N
XLogP3.10
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46440829
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
CID 119717862
N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 43068731
N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylpropanoylamino)anilino]pentan-2-yl]benzamide
CID 46468316
7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
CID 119717826
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 42958650) is N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1)n1cccn1.
What is the InChIKey of N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is PXUSOQNRELNUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-15(24-12-6-11-21-24)20(26)23-17-8-5-7-16(13-17)22-19(25)14-27-18-9-3-2-4-10-18/h2-13,15H,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide?
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 364.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 42958650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).