N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide

C23H27N3O2 — CID 73213311

IUPACN-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
SMILESCOc1ccc(Cn2nc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2C)cc1
InChIInChI=1S/C23H27N3O2/c1-16-14-21(25-26(16)15-17-6-12-20(28-5)13-7-17)22(27)24-19-10-8-18(9-11-19)23(2,3)4/h6-14H,15H2,1-5H3,(H,24,27)
InChIKeyNAZXWZQUKBEYJN-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.80
Rot. Bonds5

About N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide

N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide (PubChem CID 73213311) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
PubChem CID73213311
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
SMILESCOc1ccc(Cn2nc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2C)cc1
InChIInChI=1S/C23H27N3O2/c1-16-14-21(25-26(16)15-17-6-12-20(28-5)13-7-17)22(27)24-19-10-8-18(9-11-19)23(2,3)4/h6-14H,15H2,1-5H3,(H,24,27)
InChIKeyNAZXWZQUKBEYJN-UHFFFAOYSA-N
XLogP4.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045
N-(4-methoxyphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 41247941
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979
methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate
CID 110681771
N-(4-methoxyphenyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9042194
N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198795
N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213157
1-[(4-tert-butylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide
CID 19284121
N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 41247957
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide (CID 73213311) is N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide is COc1ccc(Cn2nc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is NAZXWZQUKBEYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-14-21(25-26(16)15-17-6-12-20(28-5)13-7-17)22(27)24-19-10-8-18(9-11-19)23(2,3)4/h6-14H,15H2,1-5H3,(H,24,27).
What are the key properties of N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide?
N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 73213311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).