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

C11H6ClF4N3O — CID 16659768

IUPAC4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1n[nH]c(C(F)(F)F)c1Cl
InChIInChI=1S/C11H6ClF4N3O/c12-7-8(18-19-9(7)11(14,15)16)10(20)17-6-3-1-5(13)2-4-6/h1-4H,(H,17,20)(H,18,19)
InChIKeyBKLFYOHWXVNBES-UHFFFAOYSA-N
MW307.63 g/mol
LogP3.47
Rot. Bonds2

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

4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 16659768) has the molecular formula C11H6ClF4N3O and a molecular weight of 307.63 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID16659768
Molecular FormulaC11H6ClF4N3O
Molecular Weight307.63 g/mol
Exact Mass307.01
IUPAC Name4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1n[nH]c(C(F)(F)F)c1Cl
InChIInChI=1S/C11H6ClF4N3O/c12-7-8(18-19-9(7)11(14,15)16)10(20)17-6-3-1-5(13)2-4-6/h1-4H,(H,17,20)(H,18,19)
InChIKeyBKLFYOHWXVNBES-UHFFFAOYSA-N
XLogP3.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.63
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide
CID 16659765
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
2-chloro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154372250
3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 67086190
4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 164898260
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292493
3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159
5-[(4-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281758
N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 16659768) is 4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(F)cc1)c1n[nH]c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is BKLFYOHWXVNBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF4N3O/c12-7-8(18-19-9(7)11(14,15)16)10(20)17-6-3-1-5(13)2-4-6/h1-4H,(H,17,20)(H,18,19).
What are the key properties of 4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 307.63 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 16659768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).