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

C16H13BrFN3O2 — CID 35334164

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C16H13BrFN3O2/c17-12-8-20-21(9-12)10-14-5-6-15(23-14)16(22)19-7-11-1-3-13(18)4-2-11/h1-6,8-9H,7,10H2,(H,19,22)
InChIKeyNEBHOKWJWNNHQD-UHFFFAOYSA-N
MW378.20 g/mol
LogP3.36
Rot. Bonds5

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

5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 35334164) has the molecular formula C16H13BrFN3O2 and a molecular weight of 378.20 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID35334164
Molecular FormulaC16H13BrFN3O2
Molecular Weight378.20 g/mol
Exact Mass377.02
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C16H13BrFN3O2/c17-12-8-20-21(9-12)10-14-5-6-15(23-14)16(22)19-7-11-1-3-13(18)4-2-11/h1-6,8-9H,7,10H2,(H,19,22)
InChIKeyNEBHOKWJWNNHQD-UHFFFAOYSA-N
XLogP3.36
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 35334159
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 3574616
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 95280433
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35334176
5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide
CID 86876078
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 19467906
5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide
CID 86961455
(4-methylphenyl) 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 86876046
N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850815
5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19292297
5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 42850910

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 35334164) is 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is NEBHOKWJWNNHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O2/c17-12-8-20-21(9-12)10-14-5-6-15(23-14)16(22)19-7-11-1-3-13(18)4-2-11/h1-6,8-9H,7,10H2,(H,19,22).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 378.20 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 35334164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).