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

C22H24FN3O2 — CID 86897789

IUPACN-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc1F
InChIInChI=1S/C22H24FN3O2/c1-14-19(22(2,3)4)25-26(16-9-7-6-8-10-16)20(14)24-21(27)15-11-12-18(28-5)17(23)13-15/h6-13H,1-5H3,(H,24,27)
InChIKeyLYFUQLWGYKBSOQ-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.88
Rot. Bonds4

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

N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide (PubChem CID 86897789) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide
PubChem CID86897789
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc1F
InChIInChI=1S/C22H24FN3O2/c1-14-19(22(2,3)4)25-26(16-9-7-6-8-10-16)20(14)24-21(27)15-11-12-18(28-5)17(23)13-15/h6-13H,1-5H3,(H,24,27)
InChIKeyLYFUQLWGYKBSOQ-UHFFFAOYSA-N
XLogP4.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 86897810
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide
CID 75468818
N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
CID 134714010
3-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431769
3-(difluoromethoxy)-4-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468505
3,4-difluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 43036733
1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122084884
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
(2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926690
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 86992494

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide (CID 86897789) is N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc1F.
What is the InChIKey of N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide?
The InChIKey is LYFUQLWGYKBSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-14-19(22(2,3)4)25-26(16-9-7-6-8-10-16)20(14)24-21(27)15-11-12-18(28-5)17(23)13-15/h6-13H,1-5H3,(H,24,27).
What are the key properties of N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide?
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide has a molecular weight of 381.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 86897789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).