3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide

C21H20BrFN4O — CID 91904828

IUPAC3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccc(Br)c1
InChIInChI=1S/C21H20BrFN4O/c22-16-4-1-3-15(11-16)21(28)24-18-5-2-10-27(13-18)20-12-19(25-26-20)14-6-8-17(23)9-7-14/h1,3-4,6-9,11-12,18H,2,5,10,13H2,(H,24,28)(H,25,26)
InChIKeyXPTXFKZGCTWVMZ-UHFFFAOYSA-N
MW443.32 g/mol
LogP4.38
Rot. Bonds4

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

3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide (PubChem CID 91904828) has the molecular formula C21H20BrFN4O and a molecular weight of 443.32 g/mol. Its IUPAC name is 3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
PubChem CID91904828
Molecular FormulaC21H20BrFN4O
Molecular Weight443.32 g/mol
Exact Mass442.08
IUPAC Name3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccc(Br)c1
InChIInChI=1S/C21H20BrFN4O/c22-16-4-1-3-15(11-16)21(28)24-18-5-2-10-27(13-18)20-12-19(25-26-20)14-6-8-17(23)9-7-14/h1,3-4,6-9,11-12,18H,2,5,10,13H2,(H,24,28)(H,25,26)
InChIKeyXPTXFKZGCTWVMZ-UHFFFAOYSA-N
XLogP4.38
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740851
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 99740991
3-fluoro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741564
3-bromo-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741798
3-chloro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741552
N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide
CID 99741021
N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 99741002
4-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887879
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide
CID 91904827
3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741585
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide
CID 99740977

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The IUPAC name of 3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide (CID 91904828) is 3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The canonical SMILES for 3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide is O=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The InChIKey is XPTXFKZGCTWVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrFN4O/c22-16-4-1-3-15(11-16)21(28)24-18-5-2-10-27(13-18)20-12-19(25-26-20)14-6-8-17(23)9-7-14/h1,3-4,6-9,11-12,18H,2,5,10,13H2,(H,24,28)(H,25,26).
What are the key properties of 3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide has a molecular weight of 443.32 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide is sourced from PubChem (CID 91904828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).