N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide

C29H22N4O — CID 21306376

IUPACN-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3C#N)cc2)n(-c2cc3ccccc3cc2C)n1
InChIInChI=1S/C29H22N4O/c1-19-15-22-7-3-4-8-23(22)17-27(19)33-28(16-20(2)32-33)29(34)31-25-13-11-21(12-14-25)26-10-6-5-9-24(26)18-30/h3-17H,1-2H3,(H,31,34)
InChIKeyMTKCZBRVRFRSLN-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.43
Rot. Bonds4

About N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide

N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide (PubChem CID 21306376) has the molecular formula C29H22N4O and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide
PubChem CID21306376
Molecular FormulaC29H22N4O
Molecular Weight442.52 g/mol
Exact Mass442.18
IUPAC NameN-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3C#N)cc2)n(-c2cc3ccccc3cc2C)n1
InChIInChI=1S/C29H22N4O/c1-19-15-22-7-3-4-8-23(22)17-27(19)33-28(16-20(2)32-33)29(34)31-25-13-11-21(12-14-25)26-10-6-5-9-24(26)18-30/h3-17H,1-2H3,(H,31,34)
InChIKeyMTKCZBRVRFRSLN-UHFFFAOYSA-N
XLogP6.43
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 20595342
N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-5-methyl-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 20595343
5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 20595105
2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 21366667
2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 157118926
5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[4-(morpholine-4-carboximidoyl)phenyl]pyrazole-3-carboxamide
CID 20595082
5-methyl-N-[4-(piperidine-1-carboximidoyl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 20595110
N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685989
N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 11477889
4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 166316432
2-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 85372060
N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 20616802

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide (CID 21306376) is N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3C#N)cc2)n(-c2cc3ccccc3cc2C)n1.
What is the InChIKey of N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide?
The InChIKey is MTKCZBRVRFRSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O/c1-19-15-22-7-3-4-8-23(22)17-27(19)33-28(16-20(2)32-33)29(34)31-25-13-11-21(12-14-25)26-10-6-5-9-24(26)18-30/h3-17H,1-2H3,(H,31,34).
What are the key properties of N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide?
N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanophenyl)phenyl]-5-methyl-2-(3-methylnaphthalen-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 21306376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).