2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide

C12H16N4OS — CID 91831322

IUPAC2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)Cc1ccn[nH]1
InChIInChI=1S/C12H16N4OS/c1-16(8-10-4-5-14-15-10)9-12(17)13-7-11-3-2-6-18-11/h2-6H,7-9H2,1H3,(H,13,17)(H,14,15)
InChIKeyAMFYBEOWLFAXHA-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.22
Rot. Bonds6

About 2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide

2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 91831322) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID91831322
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)Cc1ccn[nH]1
InChIInChI=1S/C12H16N4OS/c1-16(8-10-4-5-14-15-10)9-12(17)13-7-11-3-2-6-18-11/h2-6H,7-9H2,1H3,(H,13,17)(H,14,15)
InChIKeyAMFYBEOWLFAXHA-UHFFFAOYSA-N
XLogP1.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 91831322) is 2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide is CN(CC(=O)NCc1cccs1)Cc1ccn[nH]1.
What is the InChIKey of 2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AMFYBEOWLFAXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-16(8-10-4-5-14-15-10)9-12(17)13-7-11-3-2-6-18-11/h2-6H,7-9H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1H-pyrazol-5-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 91831322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).