2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide

C11H13BrN4O2 — CID 61108813

IUPAC2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Br)o1)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C11H13BrN4O2/c1-15(6-9-2-3-10(12)18-9)11(17)7-16-5-8(13)4-14-16/h2-5H,6-7,13H2,1H3
InChIKeyKRUTXPQQJCMELZ-UHFFFAOYSA-N
MW313.16 g/mol
LogP1.48
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide

2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide (PubChem CID 61108813) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide
PubChem CID61108813
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Br)o1)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C11H13BrN4O2/c1-15(6-9-2-3-10(12)18-9)11(17)7-16-5-8(13)4-14-16/h2-5H,6-7,13H2,1H3
InChIKeyKRUTXPQQJCMELZ-UHFFFAOYSA-N
XLogP1.48
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide (CID 61108813) is 2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide is CN(Cc1ccc(Br)o1)C(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide?
The InChIKey is KRUTXPQQJCMELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c1-15(6-9-2-3-10(12)18-9)11(17)7-16-5-8(13)4-14-16/h2-5H,6-7,13H2,1H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide?
2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide has a molecular weight of 313.16 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 61108813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).