N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide

C18H13BrClN3O2 — CID 19474995

IUPACN-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H13BrClN3O2/c1-23-16(14(19)10-21-23)18(25)22-15-8-7-12(20)9-13(15)17(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,22,25)
InChIKeyMXGDPRAUZHWISO-UHFFFAOYSA-N
MW418.68 g/mol
LogP4.32
Rot. Bonds4

About N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide

N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide (PubChem CID 19474995) has the molecular formula C18H13BrClN3O2 and a molecular weight of 418.68 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide
PubChem CID19474995
Molecular FormulaC18H13BrClN3O2
Molecular Weight418.68 g/mol
Exact Mass416.99
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H13BrClN3O2/c1-23-16(14(19)10-21-23)18(25)22-15-8-7-12(20)9-13(15)17(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,22,25)
InChIKeyMXGDPRAUZHWISO-UHFFFAOYSA-N
XLogP4.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.68
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 19475558
N-(2-benzoyl-4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477468
N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide
CID 3500532
N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19535373
N-(2-benzoyl-4-chlorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281510
N-(2-benzoyl-4-chlorophenyl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512340
N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261901
2-[4-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500505
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide (CID 19474995) is N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide is Cn1ncc(Br)c1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide?
The InChIKey is MXGDPRAUZHWISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O2/c1-23-16(14(19)10-21-23)18(25)22-15-8-7-12(20)9-13(15)17(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,22,25).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide has a molecular weight of 418.68 g/mol, XLogP of 4.32, 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)-4-bromo-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19474995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).