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

C10H6BrClFN3O — CID 122185517

IUPAC4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1Br
InChIInChI=1S/C10H6BrClFN3O/c11-6-4-14-16-9(6)10(17)15-8-2-1-5(13)3-7(8)12/h1-4H,(H,14,16)(H,15,17)
InChIKeyWDEPOKCKOUIAMH-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.22
Rot. Bonds2

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

4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 122185517) has the molecular formula C10H6BrClFN3O and a molecular weight of 318.53 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID122185517
Molecular FormulaC10H6BrClFN3O
Molecular Weight318.53 g/mol
Exact Mass316.94
IUPAC Name4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1Br
InChIInChI=1S/C10H6BrClFN3O/c11-6-4-14-16-9(6)10(17)15-8-2-1-5(13)3-7(8)12/h1-4H,(H,14,16)(H,15,17)
InChIKeyWDEPOKCKOUIAMH-UHFFFAOYSA-N
XLogP3.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 122185517) is 4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WDEPOKCKOUIAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3O/c11-6-4-14-16-9(6)10(17)15-8-2-1-5(13)3-7(8)12/h1-4H,(H,14,16)(H,15,17).
What are the key properties of 4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 318.53 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122185517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).