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

C15H13BrN4O2 — CID 1222688

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C15H13BrN4O2/c16-11-7-19-20(9-11)10-13-4-5-14(22-13)15(21)18-8-12-3-1-2-6-17-12/h1-7,9H,8,10H2,(H,18,21)
InChIKeyJLDGLMUAUKNJHT-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.61
Rot. Bonds5

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

5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide (PubChem CID 1222688) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
PubChem CID1222688
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C15H13BrN4O2/c16-11-7-19-20(9-11)10-13-4-5-14(22-13)15(21)18-8-12-3-1-2-6-17-12/h1-7,9H,8,10H2,(H,18,21)
InChIKeyJLDGLMUAUKNJHT-UHFFFAOYSA-N
XLogP2.61
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide (CID 1222688) is 5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide is O=C(NCc1ccccn1)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is JLDGLMUAUKNJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c16-11-7-19-20(9-11)10-13-4-5-14(22-13)15(21)18-8-12-3-1-2-6-17-12/h1-7,9H,8,10H2,(H,18,21).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 361.20 g/mol, XLogP of 2.61, 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-(pyridin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 1222688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).