N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide

C24H21N3O2 — CID 7947603

IUPACN-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-2-29-21-15-13-19(14-16-21)25-24(28)22-17-27(20-11-7-4-8-12-20)26-23(22)18-9-5-3-6-10-18/h3-17H,2H2,1H3,(H,25,28)
InChIKeySHBIAEMDLKCTJP-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.19
Rot. Bonds6

About N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide

N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 7947603) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID7947603
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-2-29-21-15-13-19(14-16-21)25-24(28)22-17-27(20-11-7-4-8-12-20)26-23(22)18-9-5-3-6-10-18/h3-17H,2H2,1H3,(H,25,28)
InChIKeySHBIAEMDLKCTJP-UHFFFAOYSA-N
XLogP5.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide (CID 7947603) is N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is SHBIAEMDLKCTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-29-21-15-13-19(14-16-21)25-24(28)22-17-27(20-11-7-4-8-12-20)26-23(22)18-9-5-3-6-10-18/h3-17H,2H2,1H3,(H,25,28).
What are the key properties of N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 7947603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).