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

C15H18BrN3O2 — CID 3244142

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C15H18BrN3O2/c16-11-8-17-19(9-11)10-13-6-7-14(21-13)15(20)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,18,20)
InChIKeyDVFHWXRMIDBEAX-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.35
Rot. Bonds4

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

5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide (PubChem CID 3244142) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide
PubChem CID3244142
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C15H18BrN3O2/c16-11-8-17-19(9-11)10-13-6-7-14(21-13)15(20)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,18,20)
InChIKeyDVFHWXRMIDBEAX-UHFFFAOYSA-N
XLogP3.35
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide (CID 3244142) is 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide is O=C(NC1CCCCC1)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide?
The InChIKey is DVFHWXRMIDBEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c16-11-8-17-19(9-11)10-13-6-7-14(21-13)15(20)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,18,20).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexylfuran-2-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 3.35, 4 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-cyclohexylfuran-2-carboxamide is sourced from PubChem (CID 3244142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).