N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide

C11H8BrClFN3O — CID 903340

IUPACN-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H8BrClFN3O/c1-17-5-7(13)10(16-17)11(18)15-9-3-2-6(12)4-8(9)14/h2-5H,1H3,(H,15,18)
InChIKeyGJRWYSWIAFNZPH-UHFFFAOYSA-N
MW332.56 g/mol
LogP3.23
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide

N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide (PubChem CID 903340) has the molecular formula C11H8BrClFN3O and a molecular weight of 332.56 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide
PubChem CID903340
Molecular FormulaC11H8BrClFN3O
Molecular Weight332.56 g/mol
Exact Mass330.95
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H8BrClFN3O/c1-17-5-7(13)10(16-17)11(18)15-9-3-2-6(12)4-8(9)14/h2-5H,1H3,(H,15,18)
InChIKeyGJRWYSWIAFNZPH-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide (CID 903340) is N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)Nc2ccc(Br)cc2F)n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide?
The InChIKey is GJRWYSWIAFNZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3O/c1-17-5-7(13)10(16-17)11(18)15-9-3-2-6(12)4-8(9)14/h2-5H,1H3,(H,15,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide has a molecular weight of 332.56 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 903340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).