2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide

C20H20BrFN4O2 — CID 56531553

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(Br)cc2F)n(-c2ccccn2)n1
InChIInChI=1S/C20H20BrFN4O2/c1-20(2,3)16-11-18(26(25-16)17-6-4-5-9-23-17)24-19(27)12-28-15-8-7-13(21)10-14(15)22/h4-11H,12H2,1-3H3,(H,24,27)
InChIKeyUJALVHNNAMSYBV-UHFFFAOYSA-N
MW447.31 g/mol
LogP4.48
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide (PubChem CID 56531553) has the molecular formula C20H20BrFN4O2 and a molecular weight of 447.31 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide
PubChem CID56531553
Molecular FormulaC20H20BrFN4O2
Molecular Weight447.31 g/mol
Exact Mass446.08
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(Br)cc2F)n(-c2ccccn2)n1
InChIInChI=1S/C20H20BrFN4O2/c1-20(2,3)16-11-18(26(25-16)17-6-4-5-9-23-17)24-19(27)12-28-15-8-7-13(21)10-14(15)22/h4-11H,12H2,1-3H3,(H,24,27)
InChIKeyUJALVHNNAMSYBV-UHFFFAOYSA-N
XLogP4.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 56531740
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56531304
2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56550479
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 56531405
(E)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 56550984
2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide
CID 56550955
N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 56531427
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide
CID 52910343
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide
CID 99787256

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide (CID 56531553) is 2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide is CC(C)(C)c1cc(NC(=O)COc2ccc(Br)cc2F)n(-c2ccccn2)n1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide?
The InChIKey is UJALVHNNAMSYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN4O2/c1-20(2,3)16-11-18(26(25-16)17-6-4-5-9-23-17)24-19(27)12-28-15-8-7-13(21)10-14(15)22/h4-11H,12H2,1-3H3,(H,24,27).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide has a molecular weight of 447.31 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide is sourced from PubChem (CID 56531553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).