N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide

C12H10BrClFN3O — CID 19477186

IUPACN-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H10BrClFN3O/c1-2-18-11(8(14)6-16-18)12(19)17-10-4-3-7(13)5-9(10)15/h3-6H,2H2,1H3,(H,17,19)
InChIKeyLOYUREZOKNHZDI-UHFFFAOYSA-N
MW346.59 g/mol
LogP3.71
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide

N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide (PubChem CID 19477186) has the molecular formula C12H10BrClFN3O and a molecular weight of 346.59 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide
PubChem CID19477186
Molecular FormulaC12H10BrClFN3O
Molecular Weight346.59 g/mol
Exact Mass344.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H10BrClFN3O/c1-2-18-11(8(14)6-16-18)12(19)17-10-4-3-7(13)5-9(10)15/h3-6H,2H2,1H3,(H,17,19)
InChIKeyLOYUREZOKNHZDI-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 53.71
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-ethylpyrazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide (CID 19477186) is N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide?
The InChIKey is LOYUREZOKNHZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O/c1-2-18-11(8(14)6-16-18)12(19)17-10-4-3-7(13)5-9(10)15/h3-6H,2H2,1H3,(H,17,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrazole-5-carboxamide has a molecular weight of 346.59 g/mol, XLogP of 3.71, 3 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-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19477186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).