1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine

C15H16N4O — CID 82092564

IUPAC1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine
SMILESCn1nc(CCOc2cccc3cccnc23)cc1N
InChIInChI=1S/C15H16N4O/c1-19-14(16)10-12(18-19)7-9-20-13-6-2-4-11-5-3-8-17-15(11)13/h2-6,8,10H,7,9,16H2,1H3
InChIKeyYDDJLHVWYKODSE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.17
Rot. Bonds4

About 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine

1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine (PubChem CID 82092564) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine
PubChem CID82092564
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine
SMILESCn1nc(CCOc2cccc3cccnc23)cc1N
InChIInChI=1S/C15H16N4O/c1-19-14(16)10-12(18-19)7-9-20-13-6-2-4-11-5-3-8-17-15(11)13/h2-6,8,10H,7,9,16H2,1H3
InChIKeyYDDJLHVWYKODSE-UHFFFAOYSA-N
XLogP2.17
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine (CID 82092564) is 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine is Cn1nc(CCOc2cccc3cccnc23)cc1N.
What is the InChIKey of 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine?
The InChIKey is YDDJLHVWYKODSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19-14(16)10-12(18-19)7-9-20-13-6-2-4-11-5-3-8-17-15(11)13/h2-6,8,10H,7,9,16H2,1H3.
What are the key properties of 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine?
1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine has a molecular weight of 268.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-quinolin-8-yloxyethyl)pyrazol-5-amine is sourced from PubChem (CID 82092564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).