N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H8BrCl2N3O — CID 107792769

IUPACN-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H8BrCl2N3O/c1-5-6(4-15-17-5)11(18)16-8-3-2-7(12)9(13)10(8)14/h2-4H,1H3,(H,15,17)(H,16,18)
InChIKeyRCBKAMGIUJTIFC-UHFFFAOYSA-N
MW349.02 g/mol
LogP4.04
Rot. Bonds2

About N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 107792769) has the molecular formula C11H8BrCl2N3O and a molecular weight of 349.02 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID107792769
Molecular FormulaC11H8BrCl2N3O
Molecular Weight349.02 g/mol
Exact Mass346.92
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H8BrCl2N3O/c1-5-6(4-15-17-5)11(18)16-8-3-2-7(12)9(13)10(8)14/h2-4H,1H3,(H,15,17)(H,16,18)
InChIKeyRCBKAMGIUJTIFC-UHFFFAOYSA-N
XLogP4.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103754876
N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107602580
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 104727965
4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
CID 107793511
5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide
CID 107792556
2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
CID 107791014
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634
N-[2-(bromomethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 114309775
N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63939091
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide
CID 107793571

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 107792769) is N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is RCBKAMGIUJTIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3O/c1-5-6(4-15-17-5)11(18)16-8-3-2-7(12)9(13)10(8)14/h2-4H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 349.02 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107792769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).