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

C13H12BrClFN3O — CID 56583156

IUPAC4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccc(Cl)c(F)c2)c1Br
InChIInChI=1S/C13H12BrClFN3O/c1-6(2)11-10(14)12(19-18-11)13(20)17-7-3-4-8(15)9(16)5-7/h3-6H,1-2H3,(H,17,20)(H,18,19)
InChIKeyPFKFRMFNBKJVNH-UHFFFAOYSA-N
MW360.61 g/mol
LogP4.34
Rot. Bonds3

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

4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56583156) has the molecular formula C13H12BrClFN3O and a molecular weight of 360.61 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56583156
Molecular FormulaC13H12BrClFN3O
Molecular Weight360.61 g/mol
Exact Mass358.98
IUPAC Name4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccc(Cl)c(F)c2)c1Br
InChIInChI=1S/C13H12BrClFN3O/c1-6(2)11-10(14)12(19-18-11)13(20)17-7-3-4-8(15)9(16)5-7/h3-6H,1-2H3,(H,17,20)(H,18,19)
InChIKeyPFKFRMFNBKJVNH-UHFFFAOYSA-N
XLogP4.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
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4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
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N-(3-benzoylphenyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565943
4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide
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4-bromo-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
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4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 107699370
3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61468161
3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 107980248
N-(4-chloro-3-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56583156) is 4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)Nc2ccc(Cl)c(F)c2)c1Br.
What is the InChIKey of 4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is PFKFRMFNBKJVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFN3O/c1-6(2)11-10(14)12(19-18-11)13(20)17-7-3-4-8(15)9(16)5-7/h3-6H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 360.61 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56583156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).