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

C18H14ClN3O2 — CID 19475558

IUPACN-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H14ClN3O2/c1-22-16(9-10-20-22)18(24)21-15-8-7-13(19)11-14(15)17(23)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,24)
InChIKeyQDFXZQKKPJJBQC-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.56
Rot. Bonds4

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

N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 19475558) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID19475558
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H14ClN3O2/c1-22-16(9-10-20-22)18(24)21-15-8-7-13(19)11-14(15)17(23)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,24)
InChIKeyQDFXZQKKPJJBQC-UHFFFAOYSA-N
XLogP3.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19474995
N-(2-benzoyl-4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477468
N-(2-benzoyl-4-chlorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281510
N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261901
N-(2-benzoyl-4-chlorophenyl)-1H-imidazole-2-carboxamide
CID 56978904
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402995
2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500505
N-(2-benzoyl-4-chlorophenyl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512340
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide (CID 19475558) is N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is QDFXZQKKPJJBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-22-16(9-10-20-22)18(24)21-15-8-7-13(19)11-14(15)17(23)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,24).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 3.56, 4 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-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19475558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).