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

C11H5Cl2F4N3O — CID 16659767

IUPAC4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1n[nH]c(C(F)(F)F)c1Cl
InChIInChI=1S/C11H5Cl2F4N3O/c12-5-3-4(14)1-2-6(5)18-10(21)8-7(13)9(20-19-8)11(15,16)17/h1-3H,(H,18,21)(H,19,20)
InChIKeyAFMPDINLHGCCBA-UHFFFAOYSA-N
MW342.08 g/mol
LogP4.13
Rot. Bonds2

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

4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 16659767) has the molecular formula C11H5Cl2F4N3O and a molecular weight of 342.08 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID16659767
Molecular FormulaC11H5Cl2F4N3O
Molecular Weight342.08 g/mol
Exact Mass340.97
IUPAC Name4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1n[nH]c(C(F)(F)F)c1Cl
InChIInChI=1S/C11H5Cl2F4N3O/c12-5-3-4(14)1-2-6(5)18-10(21)8-7(13)9(20-19-8)11(15,16)17/h1-3H,(H,18,21)(H,19,20)
InChIKeyAFMPDINLHGCCBA-UHFFFAOYSA-N
XLogP4.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.08
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 16659767) is 4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1n[nH]c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is AFMPDINLHGCCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F4N3O/c12-5-3-4(14)1-2-6(5)18-10(21)8-7(13)9(20-19-8)11(15,16)17/h1-3H,(H,18,21)(H,19,20).
What are the key properties of 4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 342.08 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 16659767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).