1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide

C22H15ClFN3O — CID 4298131

IUPAC1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)nn1-c1ccccc1Cl
InChIInChI=1S/C22H15ClFN3O/c23-18-8-4-5-9-20(18)27-21(14-19(26-27)15-6-2-1-3-7-15)22(28)25-17-12-10-16(24)11-13-17/h1-14H,(H,25,28)
InChIKeyFPOUIDBWRWWNPG-UHFFFAOYSA-N
MW391.83 g/mol
LogP5.58
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide

1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide (PubChem CID 4298131) has the molecular formula C22H15ClFN3O and a molecular weight of 391.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide
PubChem CID4298131
Molecular FormulaC22H15ClFN3O
Molecular Weight391.83 g/mol
Exact Mass391.09
IUPAC Name1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)nn1-c1ccccc1Cl
InChIInChI=1S/C22H15ClFN3O/c23-18-8-4-5-9-20(18)27-21(14-19(26-27)15-6-2-1-3-7-15)22(28)25-17-12-10-16(24)11-13-17/h1-14H,(H,25,28)
InChIKeyFPOUIDBWRWWNPG-UHFFFAOYSA-N
XLogP5.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.83
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide (CID 4298131) is 1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide?
The InChIKey is FPOUIDBWRWWNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O/c23-18-8-4-5-9-20(18)27-21(14-19(26-27)15-6-2-1-3-7-15)22(28)25-17-12-10-16(24)11-13-17/h1-14H,(H,25,28).
What are the key properties of 1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide has a molecular weight of 391.83 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 4298131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).