N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide

C15H18FN3O — CID 2818808

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(C(C)(C)C)n1
InChIInChI=1S/C15H18FN3O/c1-10-9-13(19(18-10)15(2,3)4)17-14(20)11-7-5-6-8-12(11)16/h5-9H,1-4H3,(H,17,20)
InChIKeyNEYDICZBWCPLRV-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.34
Rot. Bonds2

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide (PubChem CID 2818808) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
PubChem CID2818808
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(C(C)(C)C)n1
InChIInChI=1S/C15H18FN3O/c1-10-9-13(19(18-10)15(2,3)4)17-14(20)11-7-5-6-8-12(11)16/h5-9H,1-4H3,(H,17,20)
InChIKeyNEYDICZBWCPLRV-UHFFFAOYSA-N
XLogP3.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide (CID 2818808) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide is Cc1cc(NC(=O)c2ccccc2F)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide?
The InChIKey is NEYDICZBWCPLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-9-13(19(18-10)15(2,3)4)17-14(20)11-7-5-6-8-12(11)16/h5-9H,1-4H3,(H,17,20).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide has a molecular weight of 275.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 2818808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).