4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide

C21H23N3O — CID 46107065

IUPAC4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1-c1ccccc1
InChIInChI=1S/C21H23N3O/c1-15-14-19(23-24(15)18-8-6-5-7-9-18)22-20(25)16-10-12-17(13-11-16)21(2,3)4/h5-14H,1-4H3,(H,22,23,25)
InChIKeyPKYQVOVABXYQIA-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.73
Rot. Bonds3

About 4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide

4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide (PubChem CID 46107065) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
PubChem CID46107065
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1-c1ccccc1
InChIInChI=1S/C21H23N3O/c1-15-14-19(23-24(15)18-8-6-5-7-9-18)22-20(25)16-10-12-17(13-11-16)21(2,3)4/h5-14H,1-4H3,(H,22,23,25)
InChIKeyPKYQVOVABXYQIA-UHFFFAOYSA-N
XLogP4.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide
CID 110026421
N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55881703
6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 46107107
N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17481644
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide
CID 46107962
1-tert-butyl-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]triazole-4-carboxamide
CID 126810236
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate
CID 2726214
4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide
CID 46107035
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 46107097
4-tert-butyl-N-[3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-phenylpyrazol-5-yl]benzamide
CID 2323868

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide (CID 46107065) is 4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1-c1ccccc1.
What is the InChIKey of 4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide?
The InChIKey is PKYQVOVABXYQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-14-19(23-24(15)18-8-6-5-7-9-18)22-20(25)16-10-12-17(13-11-16)21(2,3)4/h5-14H,1-4H3,(H,22,23,25).
What are the key properties of 4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide?
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide has a molecular weight of 333.44 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 46107065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).