5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide

C20H20BrFN4O2 — CID 86961455

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide
SMILESO=C(NC1CCCN(c2cccc(F)c2)C1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C20H20BrFN4O2/c21-14-10-23-26(11-14)13-18-6-7-19(28-18)20(27)24-16-4-2-8-25(12-16)17-5-1-3-15(22)9-17/h1,3,5-7,9-11,16H,2,4,8,12-13H2,(H,24,27)
InChIKeyXSGSBVPAGYSFFA-UHFFFAOYSA-N
MW447.31 g/mol
LogP3.82
Rot. Bonds5

About 5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide

5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide (PubChem CID 86961455) has the molecular formula C20H20BrFN4O2 and a molecular weight of 447.31 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide
PubChem CID86961455
Molecular FormulaC20H20BrFN4O2
Molecular Weight447.31 g/mol
Exact Mass446.08
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide
SMILESO=C(NC1CCCN(c2cccc(F)c2)C1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C20H20BrFN4O2/c21-14-10-23-26(11-14)13-18-6-7-19(28-18)20(27)24-16-4-2-8-25(12-16)17-5-1-3-15(22)9-17/h1,3,5-7,9-11,16H,2,4,8,12-13H2,(H,24,27)
InChIKeyXSGSBVPAGYSFFA-UHFFFAOYSA-N
XLogP3.82
TPSA63.30 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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide
CID 86961074
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35334176
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 3574616
(2S)-1-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]piperidine-2-carboxylic acid
CID 124702289
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95980409
2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884161
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 95280433
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 56725942

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide (CID 86961455) is 5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide is O=C(NC1CCCN(c2cccc(F)c2)C1)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide?
The InChIKey is XSGSBVPAGYSFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN4O2/c21-14-10-23-26(11-14)13-18-6-7-19(28-18)20(27)24-16-4-2-8-25(12-16)17-5-1-3-15(22)9-17/h1,3,5-7,9-11,16H,2,4,8,12-13H2,(H,24,27).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide has a molecular weight of 447.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 86961455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).