N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C21H23N3O2 — CID 86912856

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(C(C)(C)C)ccc2O)cnn1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-14-17(13-22-24(14)16-8-6-5-7-9-16)20(26)23-18-12-15(21(2,3)4)10-11-19(18)25/h5-13,25H,1-4H3,(H,23,26)
InChIKeyRSYOKOXTIQKDNT-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.44
Rot. Bonds3

About N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 86912856) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID86912856
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(C(C)(C)C)ccc2O)cnn1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-14-17(13-22-24(14)16-8-6-5-7-9-16)20(26)23-18-12-15(21(2,3)4)10-11-19(18)25/h5-13,25H,1-4H3,(H,23,26)
InChIKeyRSYOKOXTIQKDNT-UHFFFAOYSA-N
XLogP4.44
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 108741734
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17481644
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111335159
5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 46554811
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
1-(4-tert-butylphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82089556

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 86912856) is N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cc(C(C)(C)C)ccc2O)cnn1-c1ccccc1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is RSYOKOXTIQKDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-17(13-22-24(14)16-8-6-5-7-9-16)20(26)23-18-12-15(21(2,3)4)10-11-19(18)25/h5-13,25H,1-4H3,(H,23,26).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 86912856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).