N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide

C15H17F2N3O — CID 115674962

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)c(F)cc1F
InChIInChI=1S/C15H17F2N3O/c1-8-5-9(11(17)6-10(8)16)14(21)18-13-7-12(19-20-13)15(2,3)4/h5-7H,1-4H3,(H2,18,19,20,21)
InChIKeyBVNVWMQLODRZOC-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.55
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide (PubChem CID 115674962) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide
PubChem CID115674962
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)c(F)cc1F
InChIInChI=1S/C15H17F2N3O/c1-8-5-9(11(17)6-10(8)16)14(21)18-13-7-12(19-20-13)15(2,3)4/h5-7H,1-4H3,(H2,18,19,20,21)
InChIKeyBVNVWMQLODRZOC-UHFFFAOYSA-N
XLogP3.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide
CID 115603601
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxy-4-methylbenzamide
CID 115603617
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide
CID 115603610
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodobenzamide
CID 103995808
4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
CID 115603581
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
CID 115694776
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489766
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide
CID 104619953
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 104619986
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-indazole-7-carboxamide
CID 51107530

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide (CID 115674962) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide is Cc1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)c(F)cc1F.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide?
The InChIKey is BVNVWMQLODRZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-8-5-9(11(17)6-10(8)16)14(21)18-13-7-12(19-20-13)15(2,3)4/h5-7H,1-4H3,(H2,18,19,20,21).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide has a molecular weight of 293.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide is sourced from PubChem (CID 115674962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).