[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone

C15H18BrN3O2 — CID 56725942

IUPAC[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C15H18BrN3O2/c1-11-4-2-3-7-19(11)15(20)14-6-5-13(21-14)10-18-9-12(16)8-17-18/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKeyDBAWHRHUFJYOHS-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.30
Rot. Bonds3

About [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone

[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 56725942) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID56725942
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C15H18BrN3O2/c1-11-4-2-3-7-19(11)15(20)14-6-5-13(21-14)10-18-9-12(16)8-17-18/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKeyDBAWHRHUFJYOHS-UHFFFAOYSA-N
XLogP3.30
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone (CID 56725942) is [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is DBAWHRHUFJYOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-11-4-2-3-7-19(11)15(20)14-6-5-13(21-14)10-18-9-12(16)8-17-18/h5-6,8-9,11H,2-4,7,10H2,1H3.
What are the key properties of [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone?
[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 352.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 56725942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).