propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate

C19H24ClN3O3 — CID 29211303

IUPACpropyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1
InChIInChI=1S/C19H24ClN3O3/c1-5-10-26-19(25)14-6-8-15(9-7-14)21-18(24)16-13(4)22-23(17(16)20)11-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,24)
InChIKeyZBWPBQQHKUBQMH-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.32
Rot. Bonds7

About propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate

propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate (PubChem CID 29211303) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate
PubChem CID29211303
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Namepropyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1
InChIInChI=1S/C19H24ClN3O3/c1-5-10-26-19(25)14-6-8-15(9-7-14)21-18(24)16-13(4)22-23(17(16)20)11-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,24)
InChIKeyZBWPBQQHKUBQMH-UHFFFAOYSA-N
XLogP4.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 27229200
[2-(4-acetamidophenyl)-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 7904346
5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 26087171
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 7904217
propyl 4-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate
CID 3367349
[2-(3,5-dimethylanilino)-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 7904530
propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 19580076
(2-benzamido-2-oxoethyl) 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 7904379
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
propyl 4-(2-methylpropoxycarbonylamino)benzoate
CID 43404774
1-benzyl-5-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 7957023
ethyl 4-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
CID 7926438

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate?
The IUPAC name of propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate (CID 29211303) is propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate?
The canonical SMILES for propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1.
What is the InChIKey of propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate?
The InChIKey is ZBWPBQQHKUBQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-5-10-26-19(25)14-6-8-15(9-7-14)21-18(24)16-13(4)22-23(17(16)20)11-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,24).
What are the key properties of propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate?
propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate has a molecular weight of 377.87 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 29211303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).