3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide

C24H20ClN3O2 — CID 70694213

IUPAC3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN3O2/c1-2-30-21-14-12-19(13-15-21)26-24(29)22-16-28(20-6-4-3-5-7-20)27-23(22)17-8-10-18(25)11-9-17/h3-16H,2H2,1H3,(H,26,29)
InChIKeyIGZSIWVDEYTJAD-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.84
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide

3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 70694213) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID70694213
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN3O2/c1-2-30-21-14-12-19(13-15-21)26-24(29)22-16-28(20-6-4-3-5-7-20)27-23(22)17-8-10-18(25)11-9-17/h3-16H,2H2,1H3,(H,26,29)
InChIKeyIGZSIWVDEYTJAD-UHFFFAOYSA-N
XLogP5.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 70694213) is 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is IGZSIWVDEYTJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-2-30-21-14-12-19(13-15-21)26-24(29)22-16-28(20-6-4-3-5-7-20)27-23(22)17-8-10-18(25)11-9-17/h3-16H,2H2,1H3,(H,26,29).
What are the key properties of 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 70694213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).