1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide

C16H22N4O2 — CID 91909502

IUPAC1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCC23CCCC=C2NC(=O)CC3)n1
InChIInChI=1S/C16H22N4O2/c1-2-20-10-7-12(19-20)15(22)17-11-16-8-4-3-5-13(16)18-14(21)6-9-16/h5,7,10H,2-4,6,8-9,11H2,1H3,(H,17,22)(H,18,21)
InChIKeyYPWNCFJLMASPMV-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.60
Rot. Bonds4

About 1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide

1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide (PubChem CID 91909502) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide
PubChem CID91909502
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCC23CCCC=C2NC(=O)CC3)n1
InChIInChI=1S/C16H22N4O2/c1-2-20-10-7-12(19-20)15(22)17-11-16-8-4-3-5-13(16)18-14(21)6-9-16/h5,7,10H,2-4,6,8-9,11H2,1H3,(H,17,22)(H,18,21)
InChIKeyYPWNCFJLMASPMV-UHFFFAOYSA-N
XLogP1.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)ethyl]-9-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850435
2-Cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72907096
1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
CID 91920116
2-Ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738748
5-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708
WO2022091056, Example 111
CID 164514349
WO2022091056, Example 99
CID 164514337
WO2022091056, Example 100
CID 164514338
WO2022091056, Example 101
CID 164514339
WO2022091056, Example 102
CID 164514340
3-Cyclopentyl-N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazine-2-carbonyl}piperidin-4-YL)propanamide
CID 91891258
1,3-Dimethyl-N-[(1-methyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]-1H-pyrazole-5-carboxamide
CID 91909513

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide (CID 91909502) is 1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide is CCn1ccc(C(=O)NCC23CCCC=C2NC(=O)CC3)n1.
What is the InChIKey of 1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is YPWNCFJLMASPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-20-10-7-12(19-20)15(22)17-11-16-8-4-3-5-13(16)18-14(21)6-9-16/h5,7,10H,2-4,6,8-9,11H2,1H3,(H,17,22)(H,18,21).
What are the key properties of 1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide?
1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91909502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).