2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide

C10H16N4OS — CID 80583774

IUPAC2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide
SMILESNc1ccn(CC(=O)NCC2CCCS2)n1
InChIInChI=1S/C10H16N4OS/c11-9-3-4-14(13-9)7-10(15)12-6-8-2-1-5-16-8/h3-4,8H,1-2,5-7H2,(H2,11,13)(H,12,15)
InChIKeyWLCBPAPEFHRKML-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.48
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 80583774) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide
PubChem CID80583774
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide
SMILESNc1ccn(CC(=O)NCC2CCCS2)n1
InChIInChI=1S/C10H16N4OS/c11-9-3-4-14(13-9)7-10(15)12-6-8-2-1-5-16-8/h3-4,8H,1-2,5-7H2,(H2,11,13)(H,12,15)
InChIKeyWLCBPAPEFHRKML-UHFFFAOYSA-N
XLogP0.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide (CID 80583774) is 2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide is Nc1ccn(CC(=O)NCC2CCCS2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is WLCBPAPEFHRKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c11-9-3-4-14(13-9)7-10(15)12-6-8-2-1-5-16-8/h3-4,8H,1-2,5-7H2,(H2,11,13)(H,12,15).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 240.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 80583774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).