2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine

C15H16N4 — CID 61070929

IUPAC2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine
SMILESc1cnc2ccc(CNCCn3cccn3)cc2c1
InChIInChI=1S/C15H16N4/c1-3-14-11-13(4-5-15(14)17-6-1)12-16-8-10-19-9-2-7-18-19/h1-7,9,11,16H,8,10,12H2
InChIKeyWWVFPLJMNOGOMN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.22
Rot. Bonds5

About 2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine

2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine (PubChem CID 61070929) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine
PubChem CID61070929
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine
SMILESc1cnc2ccc(CNCCn3cccn3)cc2c1
InChIInChI=1S/C15H16N4/c1-3-14-11-13(4-5-15(14)17-6-1)12-16-8-10-19-9-2-7-18-19/h1-7,9,11,16H,8,10,12H2
InChIKeyWWVFPLJMNOGOMN-UHFFFAOYSA-N
XLogP2.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 60657424
N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide
CID 43546001
3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115639548
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
3-[(2-pyrazol-1-ylethylamino)methyl]benzamide
CID 61462987
N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 107038897
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine
CID 106415087
N-[(3-nitrophenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61069254
3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
CID 115630613

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine?
The IUPAC name of 2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine (CID 61070929) is 2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine.
What is the SMILES notation for 2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine?
The canonical SMILES for 2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine is c1cnc2ccc(CNCCn3cccn3)cc2c1.
What is the InChIKey of 2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine?
The InChIKey is WWVFPLJMNOGOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-14-11-13(4-5-15(14)17-6-1)12-16-8-10-19-9-2-7-18-19/h1-7,9,11,16H,8,10,12H2.
What are the key properties of 2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine?
2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine is sourced from PubChem (CID 61070929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).