propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate

C20H19N3O3 — CID 17497737

IUPACpropan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H19N3O3/c1-14(2)26-20(25)16-4-8-17(9-5-16)22-19(24)15-6-10-18(11-7-15)23-13-3-12-21-23/h3-14H,1-2H3,(H,22,24)
InChIKeyFEPMYAWKSXFGOX-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.69
Rot. Bonds5

About propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate

propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate (PubChem CID 17497737) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
PubChem CID17497737
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namepropan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H19N3O3/c1-14(2)26-20(25)16-4-8-17(9-5-16)22-19(24)15-6-10-18(11-7-15)23-13-3-12-21-23/h3-14H,1-2H3,(H,22,24)
InChIKeyFEPMYAWKSXFGOX-UHFFFAOYSA-N
XLogP3.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate
CID 43026852
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate
CID 8956278
4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43071024
N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
CID 111116155
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-pyrazol-1-ylbenzoate
CID 18192323
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
CID 46813346
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
CID 33252679

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate (CID 17497737) is propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate?
The InChIKey is FEPMYAWKSXFGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(2)26-20(25)16-4-8-17(9-5-16)22-19(24)15-6-10-18(11-7-15)23-13-3-12-21-23/h3-14H,1-2H3,(H,22,24).
What are the key properties of propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate?
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate has a molecular weight of 349.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate is sourced from PubChem (CID 17497737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).