ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate

C20H19N3O3 — CID 38074348

IUPACethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C20H19N3O3/c1-3-26-20(25)16-11-7-8-12-18(16)22-19(24)17-13-21-23(14(17)2)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H,22,24)
InChIKeyOOFLDYMCUXEZKA-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.61
Rot. Bonds5

About ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate

ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate (PubChem CID 38074348) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
PubChem CID38074348
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nameethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C20H19N3O3/c1-3-26-20(25)16-11-7-8-12-18(16)22-19(24)17-13-21-23(14(17)2)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H,22,24)
InChIKeyOOFLDYMCUXEZKA-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
ethyl 1-[4-[(2-chlorophenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 31910537
ethyl 5-amino-1-[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363359
ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944198
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
ethyl 5-methyl-1-[4-[[4-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylate
CID 55683117
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
[2-(2-chloroanilino)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate
CID 18124031
N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791923
butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 108788917
ethyl 5-(butanoylamino)-1-phenylpyrazole-4-carboxylate
CID 5054602
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate (CID 38074348) is ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate?
The InChIKey is OOFLDYMCUXEZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-26-20(25)16-11-7-8-12-18(16)22-19(24)17-13-21-23(14(17)2)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H,22,24).
What are the key properties of ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate?
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate has a molecular weight of 349.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 38074348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).