N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide

C13H18N4OS — CID 56781302

IUPACN-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CNCCn1cccn1
InChIInChI=1S/C13H18N4OS/c1-16(10-12-3-8-19-11-12)13(18)9-14-5-7-17-6-2-4-15-17/h2-4,6,8,11,14H,5,7,9-10H2,1H3
InChIKeyFJHQJWQZORWFPI-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.19
Rot. Bonds7

About N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 56781302) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID56781302
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CNCCn1cccn1
InChIInChI=1S/C13H18N4OS/c1-16(10-12-3-8-19-11-12)13(18)9-14-5-7-17-6-2-4-15-17/h2-4,6,8,11,14H,5,7,9-10H2,1H3
InChIKeyFJHQJWQZORWFPI-UHFFFAOYSA-N
XLogP1.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide (CID 56781302) is N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CNCCn1cccn1.
What is the InChIKey of N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is FJHQJWQZORWFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-16(10-12-3-8-19-11-12)13(18)9-14-5-7-17-6-2-4-15-17/h2-4,6,8,11,14H,5,7,9-10H2,1H3.
What are the key properties of N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 56781302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).