ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate

C20H19N3O3 — CID 56675418

IUPACethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n[nH]1
InChIInChI=1S/C20H19N3O3/c1-3-26-20(25)18-12-17(22-23-18)14-8-10-16(11-9-14)21-19(24)15-6-4-13(2)5-7-15/h4-12H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHZVGJIKQVXSXJM-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.81
Rot. Bonds5

About ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate

ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate (PubChem CID 56675418) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
PubChem CID56675418
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nameethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n[nH]1
InChIInChI=1S/C20H19N3O3/c1-3-26-20(25)18-12-17(22-23-18)14-8-10-16(11-9-14)21-19(24)15-6-4-13(2)5-7-15/h4-12H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHZVGJIKQVXSXJM-UHFFFAOYSA-N
XLogP3.81
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
butyl 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 46920237
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 135675399
ethyl 3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylate
CID 75357945
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-4-methylbenzamide
CID 7593660
N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508699
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate (CID 56675418) is ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n[nH]1.
What is the InChIKey of ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate?
The InChIKey is HZVGJIKQVXSXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-26-20(25)18-12-17(22-23-18)14-8-10-16(11-9-14)21-19(24)15-6-4-13(2)5-7-15/h4-12H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate?
ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 56675418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).