N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide

C23H20N4O — CID 53067674

IUPACN-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(-c2cccnc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H20N4O/c1-16-8-6-9-17(2)22(16)25-23(28)20-14-21(18-10-7-13-24-15-18)27(26-20)19-11-4-3-5-12-19/h3-15H,1-2H3,(H,25,28)
InChIKeyFLIZFWXCPCXSQL-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.80
Rot. Bonds4

About N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide

N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 53067674) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID53067674
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(-c2cccnc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H20N4O/c1-16-8-6-9-17(2)22(16)25-23(28)20-14-21(18-10-7-13-24-15-18)27(26-20)19-11-4-3-5-12-19/h3-15H,1-2H3,(H,25,28)
InChIKeyFLIZFWXCPCXSQL-UHFFFAOYSA-N
XLogP4.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide (CID 53067674) is N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide is Cc1cccc(C)c1NC(=O)c1cc(-c2cccnc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is FLIZFWXCPCXSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-8-6-9-17(2)22(16)25-23(28)20-14-21(18-10-7-13-24-15-18)27(26-20)19-11-4-3-5-12-19/h3-15H,1-2H3,(H,25,28).
What are the key properties of N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide?
N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 53067674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).