propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate

C21H21N3O3 — CID 55755392

IUPACpropyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O3/c1-3-13-27-21(26)16-9-11-17(12-10-16)22-20(25)19-14-15(2)24(23-19)18-7-5-4-6-8-18/h4-12,14H,3,13H2,1-2H3,(H,22,25)
InChIKeyJWCTXPQAWNZQFN-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.00
Rot. Bonds6

About propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate

propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate (PubChem CID 55755392) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate
PubChem CID55755392
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namepropyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O3/c1-3-13-27-21(26)16-9-11-17(12-10-16)22-20(25)19-14-15(2)24(23-19)18-7-5-4-6-8-18/h4-12,14H,3,13H2,1-2H3,(H,22,25)
InChIKeyJWCTXPQAWNZQFN-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

ethyl 4-[(5-acetamido-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 51999347
5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid
CID 82361649
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate
CID 24677548
propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 19580076
benzamido 5-methyl-1-phenylpyrazole-3-carboxylate
CID 5019720
N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55881703
methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate
CID 110681771
5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55794303
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55756894
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate (CID 55755392) is propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)cc1.
What is the InChIKey of propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate?
The InChIKey is JWCTXPQAWNZQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-13-27-21(26)16-9-11-17(12-10-16)22-20(25)19-14-15(2)24(23-19)18-7-5-4-6-8-18/h4-12,14H,3,13H2,1-2H3,(H,22,25).
What are the key properties of propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate?
propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)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-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 55755392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).