N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

C25H28N6O — CID 56531464

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccccn3)cc2)n1
InChIInChI=1S/C25H28N6O/c1-17-14-18(2)30(28-17)16-19-9-11-20(12-10-19)24(32)27-23-15-21(25(3,4)5)29-31(23)22-8-6-7-13-26-22/h6-15H,16H2,1-5H3,(H,27,32)
InChIKeyZYPYRGRNJIZKLD-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.68
Rot. Bonds5

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 56531464) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
PubChem CID56531464
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccccn3)cc2)n1
InChIInChI=1S/C25H28N6O/c1-17-14-18(2)30(28-17)16-19-9-11-20(12-10-19)24(32)27-23-15-21(25(3,4)5)29-31(23)22-8-6-7-13-26-22/h6-15H,16H2,1-5H3,(H,27,32)
InChIKeyZYPYRGRNJIZKLD-UHFFFAOYSA-N
XLogP4.68
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 56550578
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CID 56550919
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 56550411
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CID 56531701
N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 56550790
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
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N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide
CID 112772631
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide
CID 56550449
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 56531464) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccccn3)cc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The InChIKey is ZYPYRGRNJIZKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-17-14-18(2)30(28-17)16-19-9-11-20(12-10-19)24(32)27-23-15-21(25(3,4)5)29-31(23)22-8-6-7-13-26-22/h6-15H,16H2,1-5H3,(H,27,32).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide has a molecular weight of 428.54 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 56531464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).