4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide

C22H19N3O — CID 2353958

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)n1
InChIInChI=1S/C22H19N3O/c1-15-13-16(2)25(24-15)21-11-8-18(9-12-21)22(26)23-20-10-7-17-5-3-4-6-19(17)14-20/h3-14H,1-2H3,(H,23,26)
InChIKeyBRIFIBRFSIWVAC-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.89
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide

4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide (PubChem CID 2353958) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
PubChem CID2353958
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)n1
InChIInChI=1S/C22H19N3O/c1-15-13-16(2)25(24-15)21-11-8-18(9-12-21)22(26)23-20-10-7-17-5-3-4-6-19(17)14-20/h3-14H,1-2H3,(H,23,26)
InChIKeyBRIFIBRFSIWVAC-UHFFFAOYSA-N
XLogP4.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 86921766
4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide
CID 9110177
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 39734609
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39259977
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 134046171
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide
CID 78877817

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide (CID 2353958) is 4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide?
The InChIKey is BRIFIBRFSIWVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-13-16(2)25(24-15)21-11-8-18(9-12-21)22(26)23-20-10-7-17-5-3-4-6-19(17)14-20/h3-14H,1-2H3,(H,23,26).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 2353958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).