4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide

C10H5BrCl2FN3O — CID 122185518

IUPAC4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1n[nH]c(Cl)c1Br
InChIInChI=1S/C10H5BrCl2FN3O/c11-7-8(16-17-9(7)13)10(18)15-6-2-1-4(14)3-5(6)12/h1-3H,(H,15,18)(H,16,17)
InChIKeyKQQCEIIKSNXSLI-UHFFFAOYSA-N
MW352.98 g/mol
LogP3.87
Rot. Bonds2

About 4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide

4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 122185518) has the molecular formula C10H5BrCl2FN3O and a molecular weight of 352.98 g/mol. Its IUPAC name is 4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
PubChem CID122185518
Molecular FormulaC10H5BrCl2FN3O
Molecular Weight352.98 g/mol
Exact Mass350.90
IUPAC Name4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1n[nH]c(Cl)c1Br
InChIInChI=1S/C10H5BrCl2FN3O/c11-7-8(16-17-9(7)13)10(18)15-6-2-1-4(14)3-5(6)12/h1-3H,(H,15,18)(H,16,17)
InChIKeyKQQCEIIKSNXSLI-UHFFFAOYSA-N
XLogP3.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.98
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide (CID 122185518) is 4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1n[nH]c(Cl)c1Br.
What is the InChIKey of 4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is KQQCEIIKSNXSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2FN3O/c11-7-8(16-17-9(7)13)10(18)15-6-2-1-4(14)3-5(6)12/h1-3H,(H,15,18)(H,16,17).
What are the key properties of 4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide?
4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 352.98 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 122185518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).