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

C24H21N3O2 — CID 1340223

IUPACN-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-17-8-10-18(11-9-17)23-22(16-27(26-23)20-6-4-3-5-7-20)24(28)25-19-12-14-21(29-2)15-13-19/h3-16H,1-2H3,(H,25,28)
InChIKeyBRFGLBIZGFWHSE-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.11
Rot. Bonds5

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

N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1340223) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1340223
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-17-8-10-18(11-9-17)23-22(16-27(26-23)20-6-4-3-5-7-20)24(28)25-19-12-14-21(29-2)15-13-19/h3-16H,1-2H3,(H,25,28)
InChIKeyBRFGLBIZGFWHSE-UHFFFAOYSA-N
XLogP5.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 1340223) is N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is BRFGLBIZGFWHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17-8-10-18(11-9-17)23-22(16-27(26-23)20-6-4-3-5-7-20)24(28)25-19-12-14-21(29-2)15-13-19/h3-16H,1-2H3,(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1340223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).