N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide

C16H16N4O — CID 119067213

IUPACN-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(-c2ccc(C)c3ncccc23)cn1
InChIInChI=1S/C16H16N4O/c1-11-5-6-13(14-4-3-7-18-16(11)14)12-8-19-20(9-12)10-15(21)17-2/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyQQTUIODJYRDLTE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.15
Rot. Bonds3

About N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide

N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide (PubChem CID 119067213) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide
PubChem CID119067213
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(-c2ccc(C)c3ncccc23)cn1
InChIInChI=1S/C16H16N4O/c1-11-5-6-13(14-4-3-7-18-16(11)14)12-8-19-20(9-12)10-15(21)17-2/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyQQTUIODJYRDLTE-UHFFFAOYSA-N
XLogP2.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide (CID 119067213) is N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(-c2ccc(C)c3ncccc23)cn1.
What is the InChIKey of N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide?
The InChIKey is QQTUIODJYRDLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-5-6-13(14-4-3-7-18-16(11)14)12-8-19-20(9-12)10-15(21)17-2/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide?
N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 119067213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).