1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide

C16H20N4O — CID 81424213

IUPAC1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2cccc3c2NCCC3)cn1
InChIInChI=1S/C16H20N4O/c1-20-11-14(10-19-20)16(21)18-9-7-13-5-2-4-12-6-3-8-17-15(12)13/h2,4-5,10-11,17H,3,6-9H2,1H3,(H,18,21)
InChIKeyUXVLBAQNNHBHMU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.75
Rot. Bonds4

About 1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide

1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 81424213) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide
PubChem CID81424213
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2cccc3c2NCCC3)cn1
InChIInChI=1S/C16H20N4O/c1-20-11-14(10-19-20)16(21)18-9-7-13-5-2-4-12-6-3-8-17-15(12)13/h2,4-5,10-11,17H,3,6-9H2,1H3,(H,18,21)
InChIKeyUXVLBAQNNHBHMU-UHFFFAOYSA-N
XLogP1.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide (CID 81424213) is 1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCCc2cccc3c2NCCC3)cn1.
What is the InChIKey of 1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is UXVLBAQNNHBHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-11-14(10-19-20)16(21)18-9-7-13-5-2-4-12-6-3-8-17-15(12)13/h2,4-5,10-11,17H,3,6-9H2,1H3,(H,18,21).
What are the key properties of 1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide?
1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 81424213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).