ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate

C19H16ClN3O3 — CID 23630616

IUPACethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C19H16ClN3O3/c1-2-26-19(25)16-12-17(23(22-16)13-8-4-3-5-9-13)21-18(24)14-10-6-7-11-15(14)20/h3-12H,2H2,1H3,(H,21,24)
InChIKeyJAUUYDQKWXRTSY-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.95
Rot. Bonds5

About ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate

ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate (PubChem CID 23630616) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate
PubChem CID23630616
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Nameethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C19H16ClN3O3/c1-2-26-19(25)16-12-17(23(22-16)13-8-4-3-5-9-13)21-18(24)14-10-6-7-11-15(14)20/h3-12H,2H2,1H3,(H,21,24)
InChIKeyJAUUYDQKWXRTSY-UHFFFAOYSA-N
XLogP3.95
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922
ethyl 5-[[2-chloro-5-[3-chloro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxylate
CID 118497080
ethyl 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxylate
CID 118497085
ethyl 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate
CID 118456247
ethyl 5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylate
CID 118497025
ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate
CID 118456303
ethyl 5-(benzoylcarbamothioylamino)-1-phenylpyrazole-3-carboxylate
CID 59001357
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
ethyl 4-[(5-acetamido-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 51999347
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate (CID 23630616) is ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate is CCOC(=O)c1cc(NC(=O)c2ccccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate?
The InChIKey is JAUUYDQKWXRTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-2-26-19(25)16-12-17(23(22-16)13-8-4-3-5-9-13)21-18(24)14-10-6-7-11-15(14)20/h3-12H,2H2,1H3,(H,21,24).
What are the key properties of ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate?
ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate has a molecular weight of 369.81 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 23630616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).