2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide

C10H11BrN4OS — CID 43695297

IUPAC2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2csc(Br)c2)cn1
InChIInChI=1S/C10H11BrN4OS/c11-9-1-7(6-17-9)2-13-8-3-14-15(4-8)5-10(12)16/h1,3-4,6,13H,2,5H2,(H2,12,16)
InChIKeyLTMXXLXHQIECBG-UHFFFAOYSA-N
MW315.20 g/mol
LogP1.80
Rot. Bonds5

About 2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide

2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 43695297) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide
PubChem CID43695297
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2csc(Br)c2)cn1
InChIInChI=1S/C10H11BrN4OS/c11-9-1-7(6-17-9)2-13-8-3-14-15(4-8)5-10(12)16/h1,3-4,6,13H,2,5H2,(H2,12,16)
InChIKeyLTMXXLXHQIECBG-UHFFFAOYSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide (CID 43695297) is 2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NCc2csc(Br)c2)cn1.
What is the InChIKey of 2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is LTMXXLXHQIECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c11-9-1-7(6-17-9)2-13-8-3-14-15(4-8)5-10(12)16/h1,3-4,6,13H,2,5H2,(H2,12,16).
What are the key properties of 2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide?
2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 315.20 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromothiophen-3-yl)methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 43695297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).