N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide

C19H16ClN3O2 — CID 19475274

IUPACN-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H16ClN3O2/c1-2-23-17(10-11-21-23)19(25)22-16-9-8-14(20)12-15(16)18(24)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,22,25)
InChIKeyXUEIYWVBTDSLSR-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.04
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide

N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide (PubChem CID 19475274) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide
PubChem CID19475274
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H16ClN3O2/c1-2-23-17(10-11-21-23)19(25)22-16-9-8-14(20)12-15(16)18(24)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,22,25)
InChIKeyXUEIYWVBTDSLSR-UHFFFAOYSA-N
XLogP4.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide (CID 19475274) is N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide?
The InChIKey is XUEIYWVBTDSLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-2-23-17(10-11-21-23)19(25)22-16-9-8-14(20)12-15(16)18(24)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,22,25).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19475274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).