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

C25H23N3O2 — CID 70692158

IUPACN-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H23N3O2/c1-3-30-22-15-13-20(14-16-22)26-25(29)23-17-28(21-7-5-4-6-8-21)27-24(23)19-11-9-18(2)10-12-19/h4-17H,3H2,1-2H3,(H,26,29)
InChIKeyTXWUWDXRXZMUPG-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.50
Rot. Bonds6

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

N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 70692158) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID70692158
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H23N3O2/c1-3-30-22-15-13-20(14-16-22)26-25(29)23-17-28(21-7-5-4-6-8-21)27-24(23)19-11-9-18(2)10-12-19/h4-17H,3H2,1-2H3,(H,26,29)
InChIKeyTXWUWDXRXZMUPG-UHFFFAOYSA-N
XLogP5.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 70692158) is N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is TXWUWDXRXZMUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-3-30-22-15-13-20(14-16-22)26-25(29)23-17-28(21-7-5-4-6-8-21)27-24(23)19-11-9-18(2)10-12-19/h4-17H,3H2,1-2H3,(H,26,29).
What are the key properties of N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 70692158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).