N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide

C18H13ClIN3O2 — CID 19261901

IUPACN-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1
InChIInChI=1S/C18H13ClIN3O2/c1-23-10-14(20)16(22-23)18(25)21-15-8-7-12(19)9-13(15)17(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,25)
InChIKeyQAMIJBFUQNLZAT-UHFFFAOYSA-N
MW465.68 g/mol
LogP4.16
Rot. Bonds4

About N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide

N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 19261901) has the molecular formula C18H13ClIN3O2 and a molecular weight of 465.68 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID19261901
Molecular FormulaC18H13ClIN3O2
Molecular Weight465.68 g/mol
Exact Mass464.97
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1
InChIInChI=1S/C18H13ClIN3O2/c1-23-10-14(20)16(22-23)18(25)21-15-8-7-12(19)9-13(15)17(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,25)
InChIKeyQAMIJBFUQNLZAT-UHFFFAOYSA-N
XLogP4.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.68
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 19475558
N-(2-benzoyl-4-chlorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281510
N-(2-benzoyl-4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477468
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19474995
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19264116
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
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

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide (CID 19261901) is N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide is Cn1cc(I)c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is QAMIJBFUQNLZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClIN3O2/c1-23-10-14(20)16(22-23)18(25)21-15-8-7-12(19)9-13(15)17(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,25).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 465.68 g/mol, XLogP of 4.16, 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-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19261901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).