2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C19H26N4O — CID 56781289

IUPAC2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CNCCn1cccn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H26N4O/c1-15(17-8-7-16-5-2-3-6-18(16)13-17)22-19(24)14-20-10-12-23-11-4-9-21-23/h4,7-9,11,13,15,20H,2-3,5-6,10,12,14H2,1H3,(H,22,24)
InChIKeyQMPVPHPRIRQKBW-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.23
Rot. Bonds7

About 2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 56781289) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID56781289
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CNCCn1cccn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H26N4O/c1-15(17-8-7-16-5-2-3-6-18(16)13-17)22-19(24)14-20-10-12-23-11-4-9-21-23/h4,7-9,11,13,15,20H,2-3,5-6,10,12,14H2,1H3,(H,22,24)
InChIKeyQMPVPHPRIRQKBW-UHFFFAOYSA-N
XLogP2.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 56781289) is 2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is CC(NC(=O)CNCCn1cccn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is QMPVPHPRIRQKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(17-8-7-16-5-2-3-6-18(16)13-17)22-19(24)14-20-10-12-23-11-4-9-21-23/h4,7-9,11,13,15,20H,2-3,5-6,10,12,14H2,1H3,(H,22,24).
What are the key properties of 2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazol-1-ylethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 56781289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).