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

C16H20N4O — CID 81424217

IUPAC2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCc1cccc2c1NCCC2
InChIInChI=1S/C16H20N4O/c1-20-14(8-11-19-20)16(21)18-10-7-13-5-2-4-12-6-3-9-17-15(12)13/h2,4-5,8,11,17H,3,6-7,9-10H2,1H3,(H,18,21)
InChIKeySIXCBJWVRNBGQC-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.75
Rot. Bonds4

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

2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 81424217) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide
PubChem CID81424217
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCc1cccc2c1NCCC2
InChIInChI=1S/C16H20N4O/c1-20-14(8-11-19-20)16(21)18-10-7-13-5-2-4-12-6-3-9-17-15(12)13/h2,4-5,8,11,17H,3,6-7,9-10H2,1H3,(H,18,21)
InChIKeySIXCBJWVRNBGQC-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide (CID 81424217) is 2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NCCc1cccc2c1NCCC2.
What is the InChIKey of 2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is SIXCBJWVRNBGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-14(8-11-19-20)16(21)18-10-7-13-5-2-4-12-6-3-9-17-15(12)13/h2,4-5,8,11,17H,3,6-7,9-10H2,1H3,(H,18,21).
What are the key properties of 2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide?
2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-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 2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 81424217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).