N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide

C16H21N3O2 — CID 115603610

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C16H21N3O2/c1-10-6-7-12(21-5)11(8-10)15(20)17-14-9-13(18-19-14)16(2,3)4/h6-9H,1-5H3,(H2,17,18,19,20)
InChIKeyBKGRIWDYYRALTA-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.28
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide (PubChem CID 115603610) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide
PubChem CID115603610
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C16H21N3O2/c1-10-6-7-12(21-5)11(8-10)15(20)17-14-9-13(18-19-14)16(2,3)4/h6-9H,1-5H3,(H2,17,18,19,20)
InChIKeyBKGRIWDYYRALTA-UHFFFAOYSA-N
XLogP3.28
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxy-4-methylbenzamide
CID 115603617
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620496
2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 63818883
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide
CID 115674962
4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
CID 115603581
(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide
CID 104619965
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide
CID 104619953
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodobenzamide
CID 103995808
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide
CID 115603601
2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide
CID 13239364
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
CID 115694776
5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 762528

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide (CID 115603610) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide?
The InChIKey is BKGRIWDYYRALTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-6-7-12(21-5)11(8-10)15(20)17-14-9-13(18-19-14)16(2,3)4/h6-9H,1-5H3,(H2,17,18,19,20).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide has a molecular weight of 287.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 115603610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).