N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C22H21N5O — CID 55946939

IUPACN-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cnn(Cc4ccccc4)c3)cc2)n1
InChIInChI=1S/C22H21N5O/c1-16-12-17(2)27(25-16)21-10-8-19(9-11-21)22(28)24-20-13-23-26(15-20)14-18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,24,28)
InChIKeyJQULHCGENWJXQK-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.99
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 55946939) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID55946939
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cnn(Cc4ccccc4)c3)cc2)n1
InChIInChI=1S/C22H21N5O/c1-16-12-17(2)27(25-16)21-10-8-19(9-11-21)22(28)24-20-13-23-26(15-20)14-18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,24,28)
InChIKeyJQULHCGENWJXQK-UHFFFAOYSA-N
XLogP3.99
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
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CID 60552582
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399975
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55948214
4-(3,5-dimethylpyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55664687
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide
CID 51999507
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
CID 60526938
N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 55947460

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 55946939) is N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3cnn(Cc4ccccc4)c3)cc2)n1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is JQULHCGENWJXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-16-12-17(2)27(25-16)21-10-8-19(9-11-21)22(28)24-20-13-23-26(15-20)14-18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,24,28).
What are the key properties of N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 55946939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).