propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate

C21H21N3O3 — CID 55771754

IUPACpropyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)cc1
InChIInChI=1S/C21H21N3O3/c1-3-12-27-21(26)17-4-8-18(9-5-17)23-20(25)16-6-10-19(11-7-16)24-14-15(2)13-22-24/h4-11,13-14H,3,12H2,1-2H3,(H,23,25)
InChIKeyYWAWONHEXXZJSN-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.00
Rot. Bonds6

About propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate

propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate (PubChem CID 55771754) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
PubChem CID55771754
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namepropyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)cc1
InChIInChI=1S/C21H21N3O3/c1-3-12-27-21(26)17-4-8-18(9-5-17)23-20(25)16-6-10-19(11-7-16)24-14-15(2)13-22-24/h4-11,13-14H,3,12H2,1-2H3,(H,23,25)
InChIKeyYWAWONHEXXZJSN-UHFFFAOYSA-N
XLogP4.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 51331436
propyl 4-(pyrimidine-5-carbonylamino)benzoate
CID 104625950
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CID 155434676
4-(4-methylpyrazol-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55774228
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696
N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 55765069
propyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 78780070
propyl 4-(1H-imidazole-5-carbonylamino)benzoate
CID 63929483
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55962959
N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 87026056
propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate
CID 16652359
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate?
The IUPAC name of propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate (CID 55771754) is propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)cc1.
What is the InChIKey of propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate?
The InChIKey is YWAWONHEXXZJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-12-27-21(26)17-4-8-18(9-5-17)23-20(25)16-6-10-19(11-7-16)24-14-15(2)13-22-24/h4-11,13-14H,3,12H2,1-2H3,(H,23,25).
What are the key properties of propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate?
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate has a molecular weight of 363.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 55771754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).