2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

C13H13BrFN3O — CID 19517093

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1nn(CC(=O)NCc2ccc(F)cc2)cc1Br
InChIInChI=1S/C13H13BrFN3O/c1-9-12(14)7-18(17-9)8-13(19)16-6-10-2-4-11(15)5-3-10/h2-5,7H,6,8H2,1H3,(H,16,19)
InChIKeyQOBIUCSUONEWEU-UHFFFAOYSA-N
MW326.17 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 19517093) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID19517093
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1nn(CC(=O)NCc2ccc(F)cc2)cc1Br
InChIInChI=1S/C13H13BrFN3O/c1-9-12(14)7-18(17-9)8-13(19)16-6-10-2-4-11(15)5-3-10/h2-5,7H,6,8H2,1H3,(H,16,19)
InChIKeyQOBIUCSUONEWEU-UHFFFAOYSA-N
XLogP2.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 19282200
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 19517152
2-(4-bromo-3-methylpyrazol-1-yl)-N-prop-2-enylacetamide
CID 19517100
N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 20892457
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide
CID 19322755
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 62059422
1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 4157405
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 63999342
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19284549
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555724
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 134025159
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19516982

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 19517093) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is Cc1nn(CC(=O)NCc2ccc(F)cc2)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is QOBIUCSUONEWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-9-12(14)7-18(17-9)8-13(19)16-6-10-2-4-11(15)5-3-10/h2-5,7H,6,8H2,1H3,(H,16,19).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 326.17 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 19517093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).