2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide

C14H16N4O — CID 80554575

IUPAC2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
SMILESO=C(Cn1cccn1)Nc1cccc2c1CCNC2
InChIInChI=1S/C14H16N4O/c19-14(10-18-8-2-6-16-18)17-13-4-1-3-11-9-15-7-5-12(11)13/h1-4,6,8,15H,5,7,9-10H2,(H,17,19)
InChIKeyAELDLEMNDLCFRT-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.17
Rot. Bonds3

About 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide

2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide (PubChem CID 80554575) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
PubChem CID80554575
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
SMILESO=C(Cn1cccn1)Nc1cccc2c1CCNC2
InChIInChI=1S/C14H16N4O/c19-14(10-18-8-2-6-16-18)17-13-4-1-3-11-9-15-7-5-12(11)13/h1-4,6,8,15H,5,7,9-10H2,(H,17,19)
InChIKeyAELDLEMNDLCFRT-UHFFFAOYSA-N
XLogP1.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide
CID 120882854
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 80554367
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 120884039
1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide
CID 80554412
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide
CID 80554562
1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide
CID 103117436
3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 43808408
N-(2-phenylphenyl)-2-pyrazol-1-ylacetamide
CID 39723144
3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 47126948
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The IUPAC name of 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide (CID 80554575) is 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The canonical SMILES for 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide is O=C(Cn1cccn1)Nc1cccc2c1CCNC2.
What is the InChIKey of 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The InChIKey is AELDLEMNDLCFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(10-18-8-2-6-16-18)17-13-4-1-3-11-9-15-7-5-12(11)13/h1-4,6,8,15H,5,7,9-10H2,(H,17,19).
What are the key properties of 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide is sourced from PubChem (CID 80554575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).