(2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine

C16H18N4 — CID 105172278

IUPAC(2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine
SMILESCc1ccc2cc(C(N)c3cc(C)nn3C)ccc2n1
InChIInChI=1S/C16H18N4/c1-10-4-5-12-9-13(6-7-14(12)18-10)16(17)15-8-11(2)19-20(15)3/h4-9,16H,17H2,1-3H3
InChIKeyCERGTXLMAKCCPG-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.63
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine

(2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine (PubChem CID 105172278) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine
PubChem CID105172278
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name(2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine
SMILESCc1ccc2cc(C(N)c3cc(C)nn3C)ccc2n1
InChIInChI=1S/C16H18N4/c1-10-4-5-12-9-13(6-7-14(12)18-10)16(17)15-8-11(2)19-20(15)3/h4-9,16H,17H2,1-3H3
InChIKeyCERGTXLMAKCCPG-UHFFFAOYSA-N
XLogP2.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine (CID 105172278) is (2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine is Cc1ccc2cc(C(N)c3cc(C)nn3C)ccc2n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine?
The InChIKey is CERGTXLMAKCCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-4-5-12-9-13(6-7-14(12)18-10)16(17)15-8-11(2)19-20(15)3/h4-9,16H,17H2,1-3H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine?
(2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine is sourced from PubChem (CID 105172278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).