1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine

C16H19N5 — CID 66012854

IUPAC1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1cccc2ccc(C)nc12
InChIInChI=1S/C16H19N5/c1-4-21-16(14(17)11(3)20-21)19-13-7-5-6-12-9-8-10(2)18-15(12)13/h5-9,19H,4,17H2,1-3H3
InChIKeyGFJNQWQUHQYYGG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.39
Rot. Bonds3

About 1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine (PubChem CID 66012854) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine
PubChem CID66012854
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1cccc2ccc(C)nc12
InChIInChI=1S/C16H19N5/c1-4-21-16(14(17)11(3)20-21)19-13-7-5-6-12-9-8-10(2)18-15(12)13/h5-9,19H,4,17H2,1-3H3
InChIKeyGFJNQWQUHQYYGG-UHFFFAOYSA-N
XLogP3.39
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine (CID 66012854) is 1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1Nc1cccc2ccc(C)nc12.
What is the InChIKey of 1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine?
The InChIKey is GFJNQWQUHQYYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-4-21-16(14(17)11(3)20-21)19-13-7-5-6-12-9-8-10(2)18-15(12)13/h5-9,19H,4,17H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine has a molecular weight of 281.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 66012854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).