3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide

C11H9BrFN3O — CID 103706824

IUPAC3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccn[nH]1)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H9BrFN3O/c12-9-5-7(1-2-10(9)13)11(17)14-6-8-3-4-15-16-8/h1-5H,6H2,(H,14,17)(H,15,16)
InChIKeyRXKFQTIJHGCZSF-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.24
Rot. Bonds3

About 3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide

3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 103706824) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID103706824
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccn[nH]1)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H9BrFN3O/c12-9-5-7(1-2-10(9)13)11(17)14-6-8-3-4-15-16-8/h1-5H,6H2,(H,14,17)(H,15,16)
InChIKeyRXKFQTIJHGCZSF-UHFFFAOYSA-N
XLogP2.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-3-nitro-N-(1H-pyrazol-5-ylmethyl)benzamide
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4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 47204233
2-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridine-4-carboxamide
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N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
3-bromo-4-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 104954975
4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 137435463

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 103706824) is 3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide is O=C(NCc1ccn[nH]1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is RXKFQTIJHGCZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c12-9-5-7(1-2-10(9)13)11(17)14-6-8-3-4-15-16-8/h1-5H,6H2,(H,14,17)(H,15,16).
What are the key properties of 3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide?
3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 298.12 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 103706824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).