2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine

C15H16N4 — CID 105175097

IUPAC2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine
SMILESCn1ccc(CC(N)c2ccnc3ccccc23)n1
InChIInChI=1S/C15H16N4/c1-19-9-7-11(18-19)10-14(16)12-6-8-17-15-5-3-2-4-13(12)15/h2-9,14H,10,16H2,1H3
InChIKeyOXDXZMDFIDXDEB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.21
Rot. Bonds3

About 2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine

2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine (PubChem CID 105175097) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine
PubChem CID105175097
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine
SMILESCn1ccc(CC(N)c2ccnc3ccccc23)n1
InChIInChI=1S/C15H16N4/c1-19-9-7-11(18-19)10-14(16)12-6-8-17-15-5-3-2-4-13(12)15/h2-9,14H,10,16H2,1H3
InChIKeyOXDXZMDFIDXDEB-UHFFFAOYSA-N
XLogP2.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)-1-quinolin-4-ylethanamine
CID 105167218
2-(1-methylpyrazol-4-yl)-1-quinolin-4-ylethanamine
CID 105114119
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 103127966
2-(4-bromophenyl)-1-quinolin-4-ylethanamine
CID 105089328
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877940
[1-(1-methylpyrazol-3-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105228713
3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine
CID 103029571
CID 160608048
CID 160608048
(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine
CID 171313405
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine (CID 105175097) is 2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine is Cn1ccc(CC(N)c2ccnc3ccccc23)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine?
The InChIKey is OXDXZMDFIDXDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19-9-7-11(18-19)10-14(16)12-6-8-17-15-5-3-2-4-13(12)15/h2-9,14H,10,16H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine?
2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine is sourced from PubChem (CID 105175097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).