N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide

C14H15ClFN3O — CID 115603601

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(F)cc2Cl)n[nH]1
InChIInChI=1S/C14H15ClFN3O/c1-14(2,3)11-7-12(19-18-11)17-13(20)9-5-4-8(16)6-10(9)15/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyUNBCWEDHMLCOPQ-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.75
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide (PubChem CID 115603601) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide
PubChem CID115603601
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(F)cc2Cl)n[nH]1
InChIInChI=1S/C14H15ClFN3O/c1-14(2,3)11-7-12(19-18-11)17-13(20)9-5-4-8(16)6-10(9)15/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyUNBCWEDHMLCOPQ-UHFFFAOYSA-N
XLogP3.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxy-4-methylbenzamide
CID 115603617
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide
CID 115674962
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
CID 115694776
4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
CID 115603581
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
CID 115589930
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 112688842
N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide
CID 58997299
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-methoxy-5-methylbenzamide
CID 115603610

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide (CID 115603601) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide is CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2Cl)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide?
The InChIKey is UNBCWEDHMLCOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-14(2,3)11-7-12(19-18-11)17-13(20)9-5-4-8(16)6-10(9)15/h4-7H,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide has a molecular weight of 295.75 g/mol, XLogP of 3.75, 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-chloro-4-fluorobenzamide is sourced from PubChem (CID 115603601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).