2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide

C11H13BrN4O2 — CID 54866454

IUPAC2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NCc2ccc(Br)o2)cn1
InChIInChI=1S/C11H13BrN4O2/c1-13-11(17)7-16-6-8(4-15-16)14-5-9-2-3-10(12)18-9/h2-4,6,14H,5,7H2,1H3,(H,13,17)
InChIKeySVAQWCBNEORRRC-UHFFFAOYSA-N
MW313.16 g/mol
LogP1.60
Rot. Bonds5

About 2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide

2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide (PubChem CID 54866454) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide
PubChem CID54866454
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NCc2ccc(Br)o2)cn1
InChIInChI=1S/C11H13BrN4O2/c1-13-11(17)7-16-6-8(4-15-16)14-5-9-2-3-10(12)18-9/h2-4,6,14H,5,7H2,1H3,(H,13,17)
InChIKeySVAQWCBNEORRRC-UHFFFAOYSA-N
XLogP1.60
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide (CID 54866454) is 2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NCc2ccc(Br)o2)cn1.
What is the InChIKey of 2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is SVAQWCBNEORRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c1-13-11(17)7-16-6-8(4-15-16)14-5-9-2-3-10(12)18-9/h2-4,6,14H,5,7H2,1H3,(H,13,17).
What are the key properties of 2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide?
2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 313.16 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 54866454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).