2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide

C10H12N4OS — CID 43695150

IUPAC2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2ccsc2)cn1
InChIInChI=1S/C10H12N4OS/c11-10(15)6-14-5-9(4-13-14)12-3-8-1-2-16-7-8/h1-2,4-5,7,12H,3,6H2,(H2,11,15)
InChIKeyROJQFCDAHQBPMR-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.04
Rot. Bonds5

About 2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide

2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide (PubChem CID 43695150) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide
PubChem CID43695150
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2ccsc2)cn1
InChIInChI=1S/C10H12N4OS/c11-10(15)6-14-5-9(4-13-14)12-3-8-1-2-16-7-8/h1-2,4-5,7,12H,3,6H2,(H2,11,15)
InChIKeyROJQFCDAHQBPMR-UHFFFAOYSA-N
XLogP1.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide (CID 43695150) is 2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NCc2ccsc2)cn1.
What is the InChIKey of 2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide?
The InChIKey is ROJQFCDAHQBPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c11-10(15)6-14-5-9(4-13-14)12-3-8-1-2-16-7-8/h1-2,4-5,7,12H,3,6H2,(H2,11,15).
What are the key properties of 2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide?
2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide has a molecular weight of 236.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophen-3-ylmethylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43695150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).