N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide

C21H23N3O2 — CID 141134047

IUPACN-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccccc2)n(OCc2ccccc2)n1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)18-14-19(22-20(25)17-12-8-5-9-13-17)24(23-18)26-15-16-10-6-4-7-11-16/h4-14H,15H2,1-3H3,(H,22,25)
InChIKeyGRLZFKCLOGFRSH-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.06
Rot. Bonds5

About N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide

N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide (PubChem CID 141134047) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide
PubChem CID141134047
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccccc2)n(OCc2ccccc2)n1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)18-14-19(22-20(25)17-12-8-5-9-13-17)24(23-18)26-15-16-10-6-4-7-11-16/h4-14H,15H2,1-3H3,(H,22,25)
InChIKeyGRLZFKCLOGFRSH-UHFFFAOYSA-N
XLogP4.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
CID 39965447
4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide
CID 52564102
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-ethylbenzamide
CID 42732616
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide
CID 42730573
N-[1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3979358
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(methylsulfonylmethyl)benzamide
CID 56534380
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55555176
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide
CID 165142734
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-bromo-5-fluorobenzamide
CID 55555171
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-3-chlorobenzamide
CID 42730580

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide?
The IUPAC name of N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide (CID 141134047) is N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide is CC(C)(C)c1cc(NC(=O)c2ccccc2)n(OCc2ccccc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide?
The InChIKey is GRLZFKCLOGFRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(2,3)18-14-19(22-20(25)17-12-8-5-9-13-17)24(23-18)26-15-16-10-6-4-7-11-16/h4-14H,15H2,1-3H3,(H,22,25).
What are the key properties of N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide?
N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide is sourced from PubChem (CID 141134047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).