3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

C12H11BrFN3O — CID 54896384

IUPAC3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1[nH]ncc1CNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H11BrFN3O/c1-7-9(6-16-17-7)5-15-12(18)8-2-10(13)4-11(14)3-8/h2-4,6H,5H2,1H3,(H,15,18)(H,16,17)
InChIKeyCYKPBRSNPMPAPB-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.55
Rot. Bonds3

About 3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 54896384) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID54896384
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1[nH]ncc1CNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H11BrFN3O/c1-7-9(6-16-17-7)5-15-12(18)8-2-10(13)4-11(14)3-8/h2-4,6H,5H2,1H3,(H,15,18)(H,16,17)
InChIKeyCYKPBRSNPMPAPB-UHFFFAOYSA-N
XLogP2.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63186397
3,5-difluoro-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63185983
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
3-amino-2,5-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 107120776
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
CID 114022797
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81421879
5-bromo-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896855
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 110410177
3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476520

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (CID 54896384) is 3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is Cc1[nH]ncc1CNC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is CYKPBRSNPMPAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-7-9(6-16-17-7)5-15-12(18)8-2-10(13)4-11(14)3-8/h2-4,6H,5H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 312.14 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 54896384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).